3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline

C17H17Cl2N — CID 43757413

IUPAC3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline
SMILESCc1ccc(NC(c2ccc(Cl)cc2)C2CC2)cc1Cl
InChIInChI=1S/C17H17Cl2N/c1-11-2-9-15(10-16(11)19)20-17(12-3-4-12)13-5-7-14(18)8-6-13/h2,5-10,12,17,20H,3-4H2,1H3
InChIKeyZERNQSROIXBDPN-UHFFFAOYSA-N
MW306.24 g/mol
LogP5.87
Rot. Bonds4

About 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline

3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline (PubChem CID 43757413) has the molecular formula C17H17Cl2N and a molecular weight of 306.24 g/mol. Its IUPAC name is 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline.

Molecular Properties

Compound Name3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline
PubChem CID43757413
Molecular FormulaC17H17Cl2N
Molecular Weight306.24 g/mol
Exact Mass305.07
IUPAC Name3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline
SMILESCc1ccc(NC(c2ccc(Cl)cc2)C2CC2)cc1Cl
InChIInChI=1S/C17H17Cl2N/c1-11-2-9-15(10-16(11)19)20-17(12-3-4-12)13-5-7-14(18)8-6-13/h2,5-10,12,17,20H,3-4H2,1H3
InChIKeyZERNQSROIXBDPN-UHFFFAOYSA-N
XLogP5.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.24
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-4-methylaniline
CID 43757451
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline
CID 43772410
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline
CID 43764005
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline
CID 43765901
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline
CID 43764120
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-difluoro-4-methylaniline
CID 103584657
N-(3-chloro-4-methylphenyl)-1-cyclopropylethane-1,2-diamine
CID 104721795
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methoxy-2-methylaniline
CID 63477376
5-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43782597
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422408
3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]benzamide
CID 43767608
5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline
CID 43755230

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline?
The IUPAC name of 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline (CID 43757413) is 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline.
What is the SMILES notation for 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline?
The canonical SMILES for 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline is Cc1ccc(NC(c2ccc(Cl)cc2)C2CC2)cc1Cl.
What is the InChIKey of 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline?
The InChIKey is ZERNQSROIXBDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N/c1-11-2-9-15(10-16(11)19)20-17(12-3-4-12)13-5-7-14(18)8-6-13/h2,5-10,12,17,20H,3-4H2,1H3.
What are the key properties of 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline?
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline has a molecular weight of 306.24 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline is sourced from PubChem (CID 43757413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).