(2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine

C18H21N — CID 124647336

IUPAC(2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine
SMILESC[C@@H](Cc1ccccc1)NC/C=C\c1ccccc1
InChIInChI=1S/C18H21N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17/h2-13,16,19H,14-15H2,1H3/b13-8-/t16-/m0/s1
InChIKeyNMMSKGCUFGCREC-RQPMMQJISA-N
MW251.37 g/mol
LogP3.92
Rot. Bonds6

About (2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine

(2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine (PubChem CID 124647336) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine
PubChem CID124647336
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine
SMILESC[C@@H](Cc1ccccc1)NC/C=C\c1ccccc1
InChIInChI=1S/C18H21N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17/h2-13,16,19H,14-15H2,1H3/b13-8-/t16-/m0/s1
InChIKeyNMMSKGCUFGCREC-RQPMMQJISA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine 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

3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883
N-[(E)-3-phenylprop-2-enyl]hex-5-en-2-amine
CID 104582439
(2S)-1-phenyl-N-prop-2-enylpropan-2-amine
CID 101179457
(E)-3-phenyl-N-[(1R)-1-phenylethyl]prop-2-en-1-amine
CID 7202013
(Z)-3-phenyl-N-[(1S)-1-phenylethyl]prop-2-en-1-amine
CID 15311491
4-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]butan-2-amine
CID 62339939
(E)-N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
CID 73336131
3-methyl-2-(3-phenylprop-2-enylamino)butanoic acid
CID 71827506
N-[(1R)-1-phenylethyl]-3-(4-phenylphenyl)prop-2-en-1-amine
CID 123802706
(1-phenylpropan-2-ylamino)methanol
CID 54463712
2-(3-phenylprop-2-enylamino)propane-1,3-diol
CID 77065033
(E)-3-phenyl-N-[(1R)-1-thiophen-2-ylethyl]prop-2-en-1-amine
CID 81408581

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine?
The IUPAC name of (2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine (CID 124647336) is (2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine.
What is the SMILES notation for (2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine?
The canonical SMILES for (2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine is C[C@@H](Cc1ccccc1)NC/C=C\c1ccccc1.
What is the InChIKey of (2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine?
The InChIKey is NMMSKGCUFGCREC-RQPMMQJISA-N. The full InChI is InChI=1S/C18H21N/c1-16(15-18-11-6-3-7-12-18)19-14-8-13-17-9-4-2-5-10-17/h2-13,16,19H,14-15H2,1H3/b13-8-/t16-/m0/s1.
What are the key properties of (2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine?
(2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenyl-N-[(Z)-3-phenylprop-2-enyl]propan-2-amine is sourced from PubChem (CID 124647336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).