1-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pentane-2,3-diamine

C20H28N2O2 — CID 66835432

IUPAC1-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pentane-2,3-diamine
SMILESCCC(N)C(Cc1ccc(OC)cc1)NCc1ccc(OC)cc1
InChIInChI=1S/C20H28N2O2/c1-4-19(21)20(13-15-5-9-17(23-2)10-6-15)22-14-16-7-11-18(24-3)12-8-16/h5-12,19-20,22H,4,13-14,21H2,1-3H3
InChIKeyWIRLPQZQPHMCEU-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.14
Rot. Bonds9

About 1-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pentane-2,3-diamine

1-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pentane-2,3-diamine (PubChem CID 66835432) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pentane-2,3-diamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pentane-2,3-diamine
PubChem CID66835432
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pentane-2,3-diamine
SMILESCCC(N)C(Cc1ccc(OC)cc1)NCc1ccc(OC)cc1
InChIInChI=1S/C20H28N2O2/c1-4-19(21)20(13-15-5-9-17(23-2)10-6-15)22-14-16-7-11-18(24-3)12-8-16/h5-12,19-20,22H,4,13-14,21H2,1-3H3
InChIKeyWIRLPQZQPHMCEU-UHFFFAOYSA-N
XLogP3.14
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-3-propylhexan-2-amine
CID 82987770
N-ethyl-1-(4-methoxyphenyl)-2-methylpentan-3-amine
CID 79307375
3-ethyl-1-(4-methoxyphenyl)-N-propylheptan-2-amine
CID 63526528
(2S)-2-amino-3-(4-methoxyphenyl)propane-1,1-diol
CID 130242528
1-amino-2-[(4-methoxyphenyl)methyl]butan-1-ol
CID 70266735
3-[(4-methoxyphenyl)methylamino]pentan-1-ol
CID 111449217
[4-[[1-(4-methoxyphenyl)propan-2-ylamino]methyl]phenyl]methanol
CID 107230230
3-ethyl-1-(4-methoxyphenyl)-N-methylheptan-2-amine
CID 61064815
methyl 2-[(4-methoxyphenyl)methylamino]propanoate
CID 60780821
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylpentan-3-amine
CID 61468865
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
(2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 11788635

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pentane-2,3-diamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pentane-2,3-diamine (CID 66835432) is 1-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pentane-2,3-diamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pentane-2,3-diamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pentane-2,3-diamine is CCC(N)C(Cc1ccc(OC)cc1)NCc1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pentane-2,3-diamine?
The InChIKey is WIRLPQZQPHMCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-4-19(21)20(13-15-5-9-17(23-2)10-6-15)22-14-16-7-11-18(24-3)12-8-16/h5-12,19-20,22H,4,13-14,21H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pentane-2,3-diamine?
1-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pentane-2,3-diamine has a molecular weight of 328.46 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pentane-2,3-diamine is sourced from PubChem (CID 66835432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).