[3-amino-2-methyl-4-(methylamino)phenyl]-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]methanol

C25H30N2O3 — CID 144867631

IUPAC[3-amino-2-methyl-4-(methylamino)phenyl]-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]methanol
SMILESCNc1ccc(C(O)c2ccc(C)c(COCc3ccc(OC)cc3)c2)c(C)c1N
InChIInChI=1S/C25H30N2O3/c1-16-5-8-19(25(28)22-11-12-23(27-3)24(26)17(22)2)13-20(16)15-30-14-18-6-9-21(29-4)10-7-18/h5-13,25,27-28H,14-15,26H2,1-4H3
InChIKeyLGVAYKVEUIVURT-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.73
Rot. Bonds8

About [3-amino-2-methyl-4-(methylamino)phenyl]-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]methanol

[3-amino-2-methyl-4-(methylamino)phenyl]-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]methanol (PubChem CID 144867631) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is [3-amino-2-methyl-4-(methylamino)phenyl]-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]methanol.

Molecular Properties

Compound Name[3-amino-2-methyl-4-(methylamino)phenyl]-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]methanol
PubChem CID144867631
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name[3-amino-2-methyl-4-(methylamino)phenyl]-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]methanol
SMILESCNc1ccc(C(O)c2ccc(C)c(COCc3ccc(OC)cc3)c2)c(C)c1N
InChIInChI=1S/C25H30N2O3/c1-16-5-8-19(25(28)22-11-12-23(27-3)24(26)17(22)2)13-20(16)15-30-14-18-6-9-21(29-4)10-7-18/h5-13,25,27-28H,14-15,26H2,1-4H3
InChIKeyLGVAYKVEUIVURT-UHFFFAOYSA-N
XLogP4.73
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

benzyl 3-[3-amino-4-[amino(methyl)amino]-2-methylphenyl]-3-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]-2-methylpropanoate
CID 155179042
(1,4-dimethylbenzotriazol-5-yl)-[4-methoxy-3-[(4-methoxyphenyl)methoxymethyl]phenyl]methanol
CID 155730712
methyl 3-[3-amino-4-[amino(methyl)amino]phenyl]-3-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]-2,2-dimethylpropanoate
CID 155179029
methyl 3-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]-2-methyl-3-[5-(2-methyl-1,3-dioxol-2-yl)thiophen-2-yl]propanoate
CID 163207849
[5-bromo-5-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]pent-1-ynyl]-trimethylsilane
CID 140880656
methyl 3-[3-amino-2-methyl-4-(methylamino)phenyl]-3-[3-[[carbamoyl-[(4-ethylcyclohexyl)methyl]amino]methyl]-4-methylphenyl]-2,2-dimethylpropanoate
CID 145209894
4-chloro-3-[(4-methoxyphenyl)methoxymethyl]aniline
CID 43350184
methyl 2,3-dimethoxy-6-[(4-methoxyphenyl)methoxymethyl]-4-methylbenzoate
CID 139404388
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylaniline
CID 170076319
7-methoxy-1-(7-methoxy-2-methylnaphthalen-1-yl)-N-methylnaphthalen-2-amine
CID 142261925
4-[(4-methoxyphenyl)methoxymethyl]-3-methylbenzenecarboximidamide
CID 114483735
(3-fluoro-4-methylphenyl)-(4-methoxyphenyl)methanol
CID 60798694

Frequently Asked Questions

What is the IUPAC name of [3-amino-2-methyl-4-(methylamino)phenyl]-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]methanol?
The IUPAC name of [3-amino-2-methyl-4-(methylamino)phenyl]-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]methanol (CID 144867631) is [3-amino-2-methyl-4-(methylamino)phenyl]-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]methanol.
What is the SMILES notation for [3-amino-2-methyl-4-(methylamino)phenyl]-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]methanol?
The canonical SMILES for [3-amino-2-methyl-4-(methylamino)phenyl]-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]methanol is CNc1ccc(C(O)c2ccc(C)c(COCc3ccc(OC)cc3)c2)c(C)c1N.
What is the InChIKey of [3-amino-2-methyl-4-(methylamino)phenyl]-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]methanol?
The InChIKey is LGVAYKVEUIVURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-16-5-8-19(25(28)22-11-12-23(27-3)24(26)17(22)2)13-20(16)15-30-14-18-6-9-21(29-4)10-7-18/h5-13,25,27-28H,14-15,26H2,1-4H3.
What are the key properties of [3-amino-2-methyl-4-(methylamino)phenyl]-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]methanol?
[3-amino-2-methyl-4-(methylamino)phenyl]-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]methanol has a molecular weight of 406.53 g/mol, XLogP of 4.73, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-2-methyl-4-(methylamino)phenyl]-[3-[(4-methoxyphenyl)methoxymethyl]-4-methylphenyl]methanol is sourced from PubChem (CID 144867631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).