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

C17H18ClN — CID 79979115

IUPAC4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline
SMILESCc1cc(Cl)ccc1NCc1cccc(C2CC2)c1
InChIInChI=1S/C17H18ClN/c1-12-9-16(18)7-8-17(12)19-11-13-3-2-4-15(10-13)14-5-6-14/h2-4,7-10,14,19H,5-6,11H2,1H3
InChIKeyQNFHHXNGXJFQSQ-UHFFFAOYSA-N
MW271.79 g/mol
LogP5.14
Rot. Bonds4

About 4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline

4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline (PubChem CID 79979115) has the molecular formula C17H18ClN and a molecular weight of 271.79 g/mol. Its IUPAC name is 4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline
PubChem CID79979115
Molecular FormulaC17H18ClN
Molecular Weight271.79 g/mol
Exact Mass271.11
IUPAC Name4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline
SMILESCc1cc(Cl)ccc1NCc1cccc(C2CC2)c1
InChIInChI=1S/C17H18ClN/c1-12-9-16(18)7-8-17(12)19-11-13-3-2-4-15(10-13)14-5-6-14/h2-4,7-10,14,19H,5-6,11H2,1H3
InChIKeyQNFHHXNGXJFQSQ-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

5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline
CID 79979636
2,5-dichloro-N-[(3-cyclopropylphenyl)methyl]-4-methylaniline
CID 104725967
N-[(3-cyclopropylphenyl)methyl]-4-ethoxy-2-methylaniline
CID 79970343
3-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979180
2-chloro-N-[(3-cyclopropylphenyl)methyl]-6-methylaniline
CID 79984098
4-bromo-2-chloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79979060
3,5-dichloro-N-[(3-cyclopropylphenyl)methyl]aniline
CID 79978669
N-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline
CID 79979330
4-chloro-N-[(3,4-dichlorophenyl)methyl]-2-methylaniline
CID 28545153
5-bromo-N-[(3-cyclopropylphenyl)methyl]-2-fluoroaniline
CID 79978991
3-bromo-5-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methoxyaniline
CID 79968458
4-chloro-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63420408

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline?
The IUPAC name of 4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline (CID 79979115) is 4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline.
What is the SMILES notation for 4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline?
The canonical SMILES for 4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline is Cc1cc(Cl)ccc1NCc1cccc(C2CC2)c1.
What is the InChIKey of 4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline?
The InChIKey is QNFHHXNGXJFQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN/c1-12-9-16(18)7-8-17(12)19-11-13-3-2-4-15(10-13)14-5-6-14/h2-4,7-10,14,19H,5-6,11H2,1H3.
What are the key properties of 4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline?
4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-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 4-chloro-N-[(3-cyclopropylphenyl)methyl]-2-methylaniline is sourced from PubChem (CID 79979115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).