[4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol

C19H26N2O2 — CID 134068015

IUPAC[4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol
SMILESCOc1ccc(C(N)(c2ccc(CO)cc2)[C@@H](N)C(C)C)cc1
InChIInChI=1S/C19H26N2O2/c1-13(2)18(20)19(21,15-6-4-14(12-22)5-7-15)16-8-10-17(23-3)11-9-16/h4-11,13,18,22H,12,20-21H2,1-3H3/t18-,19?/m0/s1
InChIKeyDOVCBOMIMGVMAZ-OYKVQYDMSA-N
MW314.43 g/mol
LogP2.37
Rot. Bonds6

About [4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol

[4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol (PubChem CID 134068015) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is [4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol
PubChem CID134068015
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name[4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol
SMILESCOc1ccc(C(N)(c2ccc(CO)cc2)[C@@H](N)C(C)C)cc1
InChIInChI=1S/C19H26N2O2/c1-13(2)18(20)19(21,15-6-4-14(12-22)5-7-15)16-8-10-17(23-3)11-9-16/h4-11,13,18,22H,12,20-21H2,1-3H3/t18-,19?/m0/s1
InChIKeyDOVCBOMIMGVMAZ-OYKVQYDMSA-N
XLogP2.37
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol with MolForge

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Related Compounds

1-[4-(hydroxymethyl)phenyl]-1-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 58480145
(4-methoxyphenyl)methanol
CID 7738
(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
1,1-bis(3,5-dimethoxyphenyl)-3-methylbutane-1,2-diamine
CID 22501160
1,1-bis(4-methoxyphenyl)-4-methylpentane-1,2-diamine
CID 22486859
cycloheptane;(4-methoxyphenyl)methanol
CID 142801335
(2R)-1-(4-methoxyphenyl)-2,3-dimethyl-1-(4-methylphenyl)butan-1-amine
CID 158522454
8,9-diamino-9,9-bis(4-methoxyphenyl)-7-methylnona-1,4-dien-3-one
CID 173490472
2-amino-3-(4-methoxyphenyl)propan-1-ol
CID 14412118
[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium
CID 87105153

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol?
The IUPAC name of [4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol (CID 134068015) is [4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol.
What is the SMILES notation for [4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol?
The canonical SMILES for [4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol is COc1ccc(C(N)(c2ccc(CO)cc2)[C@@H](N)C(C)C)cc1.
What is the InChIKey of [4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol?
The InChIKey is DOVCBOMIMGVMAZ-OYKVQYDMSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13(2)18(20)19(21,15-6-4-14(12-22)5-7-15)16-8-10-17(23-3)11-9-16/h4-11,13,18,22H,12,20-21H2,1-3H3/t18-,19?/m0/s1.
What are the key properties of [4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol?
[4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol has a molecular weight of 314.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2S)-1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]phenyl]methanol is sourced from PubChem (CID 134068015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).