(3S)-2-N-(4-methoxyphenyl)-4-phenylbut-1-ene-2,3-diamine

C17H20N2O — CID 145175993

IUPAC(3S)-2-N-(4-methoxyphenyl)-4-phenylbut-1-ene-2,3-diamine
SMILESC=C(Nc1ccc(OC)cc1)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C17H20N2O/c1-13(17(18)12-14-6-4-3-5-7-14)19-15-8-10-16(20-2)11-9-15/h3-11,17,19H,1,12,18H2,2H3/t17-/m0/s1
InChIKeyIJMXZEWJBCODQW-KRWDZBQOSA-N
MW268.36 g/mol
LogP3.19
Rot. Bonds6

About (3S)-2-N-(4-methoxyphenyl)-4-phenylbut-1-ene-2,3-diamine

(3S)-2-N-(4-methoxyphenyl)-4-phenylbut-1-ene-2,3-diamine (PubChem CID 145175993) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (3S)-2-N-(4-methoxyphenyl)-4-phenylbut-1-ene-2,3-diamine.

Molecular Properties

Compound Name(3S)-2-N-(4-methoxyphenyl)-4-phenylbut-1-ene-2,3-diamine
PubChem CID145175993
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(3S)-2-N-(4-methoxyphenyl)-4-phenylbut-1-ene-2,3-diamine
SMILESC=C(Nc1ccc(OC)cc1)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C17H20N2O/c1-13(17(18)12-14-6-4-3-5-7-14)19-15-8-10-16(20-2)11-9-15/h3-11,17,19H,1,12,18H2,2H3/t17-/m0/s1
InChIKeyIJMXZEWJBCODQW-KRWDZBQOSA-N
XLogP3.19
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-2-N-(4-methoxyphenyl)-4-phenylbut-1-ene-2,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384
2-amino-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 43841950
2-benzyl-N-(4-methoxyphenyl)-3-sulfanylpropanamide
CID 19904478
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
[4-[(2S)-2-amino-3-(4-methoxyanilino)-3-oxopropyl]phenyl]boronic acid
CID 169082247
(3R)-3-benzyl-4-(4-methoxyanilino)-4-oxobutanoate
CID 6936206
(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
2-(1-amino-2-phenylethyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 5185231
(1S,2R)-1-amino-1-(4-methoxyphenyl)-3-phenylpropan-2-ol
CID 171267031
2-amino-1-(4-methoxyphenyl)-3-phenylpropan-1-ol
CID 62722209

Frequently Asked Questions

What is the IUPAC name of (3S)-2-N-(4-methoxyphenyl)-4-phenylbut-1-ene-2,3-diamine?
The IUPAC name of (3S)-2-N-(4-methoxyphenyl)-4-phenylbut-1-ene-2,3-diamine (CID 145175993) is (3S)-2-N-(4-methoxyphenyl)-4-phenylbut-1-ene-2,3-diamine.
What is the SMILES notation for (3S)-2-N-(4-methoxyphenyl)-4-phenylbut-1-ene-2,3-diamine?
The canonical SMILES for (3S)-2-N-(4-methoxyphenyl)-4-phenylbut-1-ene-2,3-diamine is C=C(Nc1ccc(OC)cc1)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (3S)-2-N-(4-methoxyphenyl)-4-phenylbut-1-ene-2,3-diamine?
The InChIKey is IJMXZEWJBCODQW-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13(17(18)12-14-6-4-3-5-7-14)19-15-8-10-16(20-2)11-9-15/h3-11,17,19H,1,12,18H2,2H3/t17-/m0/s1.
What are the key properties of (3S)-2-N-(4-methoxyphenyl)-4-phenylbut-1-ene-2,3-diamine?
(3S)-2-N-(4-methoxyphenyl)-4-phenylbut-1-ene-2,3-diamine has a molecular weight of 268.36 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-N-(4-methoxyphenyl)-4-phenylbut-1-ene-2,3-diamine is sourced from PubChem (CID 145175993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).