3-chloro-4-methyl-N-(3-phenylprop-2-enyl)aniline

C16H16ClN — CID 73471536

IUPAC3-chloro-4-methyl-N-(3-phenylprop-2-enyl)aniline
SMILESCc1ccc(NCC=Cc2ccccc2)cc1Cl
InChIInChI=1S/C16H16ClN/c1-13-9-10-15(12-16(13)17)18-11-5-8-14-6-3-2-4-7-14/h2-10,12,18H,11H2,1H3
InChIKeyVGTCQAKIMTWRNS-UHFFFAOYSA-N
MW257.76 g/mol
LogP4.77
Rot. Bonds4

About 3-chloro-4-methyl-N-(3-phenylprop-2-enyl)aniline

3-chloro-4-methyl-N-(3-phenylprop-2-enyl)aniline (PubChem CID 73471536) has the molecular formula C16H16ClN and a molecular weight of 257.76 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(3-phenylprop-2-enyl)aniline.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(3-phenylprop-2-enyl)aniline
PubChem CID73471536
Molecular FormulaC16H16ClN
Molecular Weight257.76 g/mol
Exact Mass257.10
IUPAC Name3-chloro-4-methyl-N-(3-phenylprop-2-enyl)aniline
SMILESCc1ccc(NCC=Cc2ccccc2)cc1Cl
InChIInChI=1S/C16H16ClN/c1-13-9-10-15(12-16(13)17)18-11-5-8-14-6-3-2-4-7-14/h2-10,12,18H,11H2,1H3
InChIKeyVGTCQAKIMTWRNS-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-3-chloro-4-methylaniline
CID 18778604
3-iodo-N-(3-phenylprop-2-enyl)aniline
CID 76997519
N-benzyl-N'-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 54807261
4-ethoxy-N-(3-phenylprop-2-enyl)aniline
CID 4202531
2-chloro-5-methoxy-N-(3-phenylprop-2-enyl)aniline
CID 76997582
4-methyl-3-(3-phenylprop-2-enylamino)benzonitrile
CID 76940292
N-[(E)-3-phenylprop-2-enyl]-3H-benzimidazol-5-amine
CID 86579992
2-chloro-4-iodo-N-[(E)-3-phenylprop-2-enyl]aniline
CID 107606608
3-chloro-4-methyl-N-(3-phenoxypropyl)aniline
CID 63489969
N-(3-chloro-4-methylphenyl)-N'-(2-fluorophenyl)ethane-1,2-diamine
CID 54809574
2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine
CID 6387609
3-[[(E)-3-(4-chlorophenyl)prop-2-enyl]amino]-4-methylbenzoic acid
CID 17058326

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(3-phenylprop-2-enyl)aniline?
The IUPAC name of 3-chloro-4-methyl-N-(3-phenylprop-2-enyl)aniline (CID 73471536) is 3-chloro-4-methyl-N-(3-phenylprop-2-enyl)aniline.
What is the SMILES notation for 3-chloro-4-methyl-N-(3-phenylprop-2-enyl)aniline?
The canonical SMILES for 3-chloro-4-methyl-N-(3-phenylprop-2-enyl)aniline is Cc1ccc(NCC=Cc2ccccc2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(3-phenylprop-2-enyl)aniline?
The InChIKey is VGTCQAKIMTWRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN/c1-13-9-10-15(12-16(13)17)18-11-5-8-14-6-3-2-4-7-14/h2-10,12,18H,11H2,1H3.
What are the key properties of 3-chloro-4-methyl-N-(3-phenylprop-2-enyl)aniline?
3-chloro-4-methyl-N-(3-phenylprop-2-enyl)aniline has a molecular weight of 257.76 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(3-phenylprop-2-enyl)aniline is sourced from PubChem (CID 73471536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).