3-(2-methylphenyl)-3-phenylprop-2-en-1-amine

C16H17N — CID 131859830

IUPAC3-(2-methylphenyl)-3-phenylprop-2-en-1-amine
SMILESCc1ccccc1C(=CCN)c1ccccc1
InChIInChI=1S/C16H17N/c1-13-7-5-6-10-15(13)16(11-12-17)14-8-3-2-4-9-14/h2-11H,12,17H2,1H3
InChIKeyKCTRQCZNKRVXSP-UHFFFAOYSA-N
MW223.32 g/mol
LogP3.39
Rot. Bonds3

About 3-(2-methylphenyl)-3-phenylprop-2-en-1-amine

3-(2-methylphenyl)-3-phenylprop-2-en-1-amine (PubChem CID 131859830) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-(2-methylphenyl)-3-phenylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(2-methylphenyl)-3-phenylprop-2-en-1-amine
PubChem CID131859830
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name3-(2-methylphenyl)-3-phenylprop-2-en-1-amine
SMILESCc1ccccc1C(=CCN)c1ccccc1
InChIInChI=1S/C16H17N/c1-13-7-5-6-10-15(13)16(11-12-17)14-8-3-2-4-9-14/h2-11H,12,17H2,1H3
InChIKeyKCTRQCZNKRVXSP-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-(1-phenylprop-1-enyl)benzene
CID 54442405
(Z)-1-(2-methylphenyl)prop-1-ene-1,3-diamine
CID 129268082
(E)-4,4,4-trifluoro-3-(2-methylphenyl)but-2-en-1-amine
CID 115028997
CID 88514850
CID 88514850
ethane;1-methyl-2-[(E)-pent-2-en-2-yl]benzene;[(E)-pent-2-en-2-yl]benzene
CID 142163032
(Z)-3-phenylpent-2-en-1-amine
CID 63968007
4-[(E)-3-amino-1-phenylprop-1-enyl]pyridine-2,6-diamine
CID 130450605
1-aminopropan-2-one;(2-methylphenyl)-phenylmethanone
CID 143285715
1-[(E)-2-(2-methylphenyl)-2-phenylethenyl]indole
CID 102587460
1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene
CID 102093677
1-methyl-2-[(E)-2-[2-[2-[4-[4-[2-[2-[(E)-2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-1-phenylethenyl]benzene
CID 159106915
(3R)-1-[(Z)-4-(2-methylphenyl)-4-phenylbut-3-enyl]piperidine-3-carboxylic acid
CID 53321703

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-3-phenylprop-2-en-1-amine?
The IUPAC name of 3-(2-methylphenyl)-3-phenylprop-2-en-1-amine (CID 131859830) is 3-(2-methylphenyl)-3-phenylprop-2-en-1-amine.
What is the SMILES notation for 3-(2-methylphenyl)-3-phenylprop-2-en-1-amine?
The canonical SMILES for 3-(2-methylphenyl)-3-phenylprop-2-en-1-amine is Cc1ccccc1C(=CCN)c1ccccc1.
What is the InChIKey of 3-(2-methylphenyl)-3-phenylprop-2-en-1-amine?
The InChIKey is KCTRQCZNKRVXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N/c1-13-7-5-6-10-15(13)16(11-12-17)14-8-3-2-4-9-14/h2-11H,12,17H2,1H3.
What are the key properties of 3-(2-methylphenyl)-3-phenylprop-2-en-1-amine?
3-(2-methylphenyl)-3-phenylprop-2-en-1-amine has a molecular weight of 223.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-3-phenylprop-2-en-1-amine is sourced from PubChem (CID 131859830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).