(2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine

C17H22N2O2 — CID 58794752

IUPAC(2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine
SMILESCOc1ccc(C(N)(c2ccc(OC)cc2)[C@H](C)N)cc1
InChIInChI=1S/C17H22N2O2/c1-12(18)17(19,13-4-8-15(20-2)9-5-13)14-6-10-16(21-3)11-7-14/h4-12H,18-19H2,1-3H3/t12-/m0/s1
InChIKeyFUIAQGXJJSEAJH-LBPRGKRZSA-N
MW286.38 g/mol
LogP2.25
Rot. Bonds5

About (2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine

(2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine (PubChem CID 58794752) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine
PubChem CID58794752
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine
SMILESCOc1ccc(C(N)(c2ccc(OC)cc2)[C@H](C)N)cc1
InChIInChI=1S/C17H22N2O2/c1-12(18)17(19,13-4-8-15(20-2)9-5-13)14-6-10-16(21-3)11-7-14/h4-12H,18-19H2,1-3H3/t12-/m0/s1
InChIKeyFUIAQGXJJSEAJH-LBPRGKRZSA-N
XLogP2.25
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.25
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
(2R)-1,1-bis(4-methoxyphenyl)-2,3-dimethylbutan-1-amine
CID 161003813
1,1-bis(4-methoxyphenyl)-4-methylpentane-1,2-diamine
CID 22486859
3-fluoro-3-(4-methoxyphenyl)butan-2-amine
CID 105450720
(2R)-1-(4-methoxyphenyl)-2,3-dimethyl-1-(4-methylphenyl)butan-1-amine
CID 158522454
[4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol
CID 134068015
(2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine
CID 42077610
(1R)-1-iodo-1-(4-methoxyphenyl)ethanamine
CID 68562835
4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine
CID 115624966
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
1,1-bis(3,5-dimethoxyphenyl)-3-methylbutane-1,2-diamine
CID 22501160
(1R)-2,2,2-trifluoro-1-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 164523189

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine?
The IUPAC name of (2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine (CID 58794752) is (2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine.
What is the SMILES notation for (2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine?
The canonical SMILES for (2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine is COc1ccc(C(N)(c2ccc(OC)cc2)[C@H](C)N)cc1.
What is the InChIKey of (2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine?
The InChIKey is FUIAQGXJJSEAJH-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(18)17(19,13-4-8-15(20-2)9-5-13)14-6-10-16(21-3)11-7-14/h4-12H,18-19H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine?
(2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1-bis(4-methoxyphenyl)propane-1,2-diamine is sourced from PubChem (CID 58794752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).