1,1-bis(4-methoxyphenyl)-4-methylpentane-1,2-diamine

C20H28N2O2 — CID 22486859

IUPAC1,1-bis(4-methoxyphenyl)-4-methylpentane-1,2-diamine
SMILESCOc1ccc(C(N)(c2ccc(OC)cc2)C(N)CC(C)C)cc1
InChIInChI=1S/C20H28N2O2/c1-14(2)13-19(21)20(22,15-5-9-17(23-3)10-6-15)16-7-11-18(24-4)12-8-16/h5-12,14,19H,13,21-22H2,1-4H3
InChIKeyRYEKIQZUTHKUKD-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.28
Rot. Bonds7

About 1,1-bis(4-methoxyphenyl)-4-methylpentane-1,2-diamine

1,1-bis(4-methoxyphenyl)-4-methylpentane-1,2-diamine (PubChem CID 22486859) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1,1-bis(4-methoxyphenyl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name1,1-bis(4-methoxyphenyl)-4-methylpentane-1,2-diamine
PubChem CID22486859
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1,1-bis(4-methoxyphenyl)-4-methylpentane-1,2-diamine
SMILESCOc1ccc(C(N)(c2ccc(OC)cc2)C(N)CC(C)C)cc1
InChIInChI=1S/C20H28N2O2/c1-14(2)13-19(21)20(22,15-5-9-17(23-3)10-6-15)16-7-11-18(24-4)12-8-16/h5-12,14,19H,13,21-22H2,1-4H3
InChIKeyRYEKIQZUTHKUKD-UHFFFAOYSA-N
XLogP3.28
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine
CID 134991044
(2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine
CID 58794752
(2R)-1,1-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 161003813
[4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol
CID 134068015
(2R)-1-(4-methoxyphenyl)-2,3-dimethyl-1-(4-methylphenyl)butan-1-amine
CID 158522454
(2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine
CID 42077610
3-fluoro-3-(4-methoxyphenyl)butan-2-amine
CID 105450720
(1S,2R)-1-amino-1-(4-methoxyphenyl)-4-methylpentan-2-ol;hydrochloride
CID 171161991
4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine
CID 115624966
1-(2,5-dimethylhexan-2-yl)-4-methoxybenzene
CID 121309447
3-amino-2-(4-methoxyphenoxy)-5-methylhexan-1-ol
CID 114357961
(1R)-1-iodo-1-(4-methoxyphenyl)ethanamine
CID 68562835

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(4-methoxyphenyl)-4-methylpentane-1,2-diamine?
The IUPAC name of 1,1-bis(4-methoxyphenyl)-4-methylpentane-1,2-diamine (CID 22486859) is 1,1-bis(4-methoxyphenyl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 1,1-bis(4-methoxyphenyl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 1,1-bis(4-methoxyphenyl)-4-methylpentane-1,2-diamine is COc1ccc(C(N)(c2ccc(OC)cc2)C(N)CC(C)C)cc1.
What is the InChIKey of 1,1-bis(4-methoxyphenyl)-4-methylpentane-1,2-diamine?
The InChIKey is RYEKIQZUTHKUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14(2)13-19(21)20(22,15-5-9-17(23-3)10-6-15)16-7-11-18(24-4)12-8-16/h5-12,14,19H,13,21-22H2,1-4H3.
What are the key properties of 1,1-bis(4-methoxyphenyl)-4-methylpentane-1,2-diamine?
1,1-bis(4-methoxyphenyl)-4-methylpentane-1,2-diamine has a molecular weight of 328.46 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(4-methoxyphenyl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 22486859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).