N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline

C18H20ClN — CID 43765901

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NC(c2ccc(Cl)cc2)C2CC2)c1
InChIInChI=1S/C18H20ClN/c1-12-3-4-13(2)17(11-12)20-18(14-5-6-14)15-7-9-16(19)10-8-15/h3-4,7-11,14,18,20H,5-6H2,1-2H3
InChIKeySVOYAWSEQFTSPF-UHFFFAOYSA-N
MW285.82 g/mol
LogP5.52
Rot. Bonds4

About N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline

N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline (PubChem CID 43765901) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline
PubChem CID43765901
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline
SMILESCc1ccc(C)c(NC(c2ccc(Cl)cc2)C2CC2)c1
InChIInChI=1S/C18H20ClN/c1-12-3-4-13(2)17(11-12)20-18(14-5-6-14)15-7-9-16(19)10-8-15/h3-4,7-11,14,18,20H,5-6H2,1-2H3
InChIKeySVOYAWSEQFTSPF-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.82
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline
CID 43764120
N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline
CID 43772771
5-chloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylaniline
CID 43755230
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-difluoro-4-methylaniline
CID 103584657
2-chloro-N-[cyclopropyl-(4-fluorophenyl)methyl]-5-methylaniline
CID 107630861
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline
CID 43764005
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline
CID 43757413
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methoxy-2-methylaniline
CID 63477376
4-chloro-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]benzonitrile
CID 43780543
2-bromo-5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]-4-methylaniline
CID 104722918
2-bromo-N-[cyclopropyl-(4-methylphenyl)methyl]-4-methylaniline
CID 43757682
N-[cyclopropyl-(4-methylphenyl)methyl]-4-fluoro-2-methylaniline
CID 43764890

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline (CID 43765901) is N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline is Cc1ccc(C)c(NC(c2ccc(Cl)cc2)C2CC2)c1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline?
The InChIKey is SVOYAWSEQFTSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-12-3-4-13(2)17(11-12)20-18(14-5-6-14)15-7-9-16(19)10-8-15/h3-4,7-11,14,18,20H,5-6H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline?
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline has a molecular weight of 285.82 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline is sourced from PubChem (CID 43765901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).