2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline

C17H18ClN — CID 79984098

IUPAC2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline
SMILESCc1cccc(Cl)c1NCc1cccc(C2CC2)c1
InChIInChI=1S/C17H18ClN/c1-12-4-2-7-16(18)17(12)19-11-13-5-3-6-15(10-13)14-8-9-14/h2-7,10,14,19H,8-9,11H2,1H3
InChIKeyPNCVQZRVNDIKGG-UHFFFAOYSA-N
MW271.79 g/mol
LogP5.14
Rot. Bonds4

About 2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline

2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline (PubChem CID 79984098) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline.

Molecular Properties

Compound Name2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline
PubChem CID79984098
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline
SMILESCc1cccc(Cl)c1NCc1cccc(C2CC2)c1
InChIInChI=1S/C17H18ClN/c1-12-4-2-7-16(18)17(12)19-11-13-5-3-6-15(10-13)14-8-9-14/h2-7,10,14,19H,8-9,11H2,1H3
InChIKeyPNCVQZRVNDIKGG-UHFFFAOYSA-N
XLogP5.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.79
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline
CID 104725967
2-chloro-N-[(3-fluorophenyl)methyl]-6-methylaniline
CID 66253216
4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline
CID 79979115
2-chloro-N-[(3,5-dimethylphenyl)methyl]-6-methylaniline
CID 66253245
2,6-dibromo-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline
CID 79979126
2-chloro-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 66252816
3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79978669
N-[(3-cyclopropylphenyl)methyl]-2,4,6-trifluoroaniline
CID 79983784
3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979180
[4-[(2-chloro-6-methylanilino)methyl]phenyl]methanol
CID 112630922
4-bromo-2-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979060
4-chloro-N-[(3-cyclopropylphenyl)methyl]-3-fluoroaniline
CID 79979141

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline?
The IUPAC name of 2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline (CID 79984098) is 2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline.
What is the SMILES notation for 2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline?
The canonical SMILES for 2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline is Cc1cccc(Cl)c1NCc1cccc(C2CC2)c1.
What is the InChIKey of 2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline?
The InChIKey is PNCVQZRVNDIKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c1-12-4-2-7-16(18)17(12)19-11-13-5-3-6-15(10-13)14-8-9-14/h2-7,10,14,19H,8-9,11H2,1H3.
What are the key properties of 2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline?
2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline has a molecular weight of 271.79 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline is sourced from PubChem (CID 79984098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).