5-methoxy-5,5-bis(4-methoxyphenyl)-2-methylidenepentan-1-amine

C21H27NO3 — CID 139702489

IUPAC5-methoxy-5,5-bis(4-methoxyphenyl)-2-methylidenepentan-1-amine
SMILESC=C(CN)CCC(OC)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C21H27NO3/c1-16(15-22)13-14-21(25-4,17-5-9-19(23-2)10-6-17)18-7-11-20(24-3)12-8-18/h5-12H,1,13-15,22H2,2-4H3
InChIKeyOPBHCOSFMICTNH-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.89
Rot. Bonds9

About 5-methoxy-5,5-bis(4-methoxyphenyl)-2-methylidenepentan-1-amine

5-methoxy-5,5-bis(4-methoxyphenyl)-2-methylidenepentan-1-amine (PubChem CID 139702489) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 5-methoxy-5,5-bis(4-methoxyphenyl)-2-methylidenepentan-1-amine.

Molecular Properties

Compound Name5-methoxy-5,5-bis(4-methoxyphenyl)-2-methylidenepentan-1-amine
PubChem CID139702489
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name5-methoxy-5,5-bis(4-methoxyphenyl)-2-methylidenepentan-1-amine
SMILESC=C(CN)CCC(OC)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C21H27NO3/c1-16(15-22)13-14-21(25-4,17-5-9-19(23-2)10-6-17)18-7-11-20(24-3)12-8-18/h5-12H,1,13-15,22H2,2-4H3
InChIKeyOPBHCOSFMICTNH-UHFFFAOYSA-N
XLogP3.89
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethoxy-3-(4-methoxyphenyl)propan-1-amine
CID 94684681
1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene
CID 86224004
3-(aminomethyl)-3-(4-methoxyphenyl)pentan-1-ol
CID 66090969
2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol
CID 175668445
3-amino-1,1,1-trifluoro-2-(4-methoxyphenyl)propan-2-ol
CID 63083264
2-methoxy-2-(4-methoxyphenyl)propan-1-ol
CID 105449931
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
1-methoxy-4-(3,3,3-trifluoroprop-1-en-2-yloxymethyl)benzene
CID 135080500
4-amino-3,3-difluoro-2-(4-methoxyphenyl)butan-2-ol
CID 105489048
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
2-[(3,5-dimethoxyphenoxy)methyl]prop-2-en-1-amine
CID 103067007
2-(4-methoxyphenyl)pentan-2-amine
CID 43810210

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5,5-bis(4-methoxyphenyl)-2-methylidenepentan-1-amine?
The IUPAC name of 5-methoxy-5,5-bis(4-methoxyphenyl)-2-methylidenepentan-1-amine (CID 139702489) is 5-methoxy-5,5-bis(4-methoxyphenyl)-2-methylidenepentan-1-amine.
What is the SMILES notation for 5-methoxy-5,5-bis(4-methoxyphenyl)-2-methylidenepentan-1-amine?
The canonical SMILES for 5-methoxy-5,5-bis(4-methoxyphenyl)-2-methylidenepentan-1-amine is C=C(CN)CCC(OC)(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 5-methoxy-5,5-bis(4-methoxyphenyl)-2-methylidenepentan-1-amine?
The InChIKey is OPBHCOSFMICTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-16(15-22)13-14-21(25-4,17-5-9-19(23-2)10-6-17)18-7-11-20(24-3)12-8-18/h5-12H,1,13-15,22H2,2-4H3.
What are the key properties of 5-methoxy-5,5-bis(4-methoxyphenyl)-2-methylidenepentan-1-amine?
5-methoxy-5,5-bis(4-methoxyphenyl)-2-methylidenepentan-1-amine has a molecular weight of 341.45 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5,5-bis(4-methoxyphenyl)-2-methylidenepentan-1-amine is sourced from PubChem (CID 139702489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).