N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline

C18H20ClN — CID 43764005

IUPACN-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NC(c2ccc(Cl)cc2)C2CC2)c1
InChIInChI=1S/C18H20ClN/c1-12-9-13(2)11-17(10-12)20-18(14-3-4-14)15-5-7-16(19)8-6-15/h5-11,14,18,20H,3-4H2,1-2H3
InChIKeyNQNGZOATICGLID-UHFFFAOYSA-N
MW285.82 g/mol
LogP5.52
Rot. Bonds4

About N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline

N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline (PubChem CID 43764005) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline
PubChem CID43764005
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC NameN-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline
SMILESCc1cc(C)cc(NC(c2ccc(Cl)cc2)C2CC2)c1
InChIInChI=1S/C18H20ClN/c1-12-9-13(2)11-17(10-12)20-18(14-3-4-14)15-5-7-16(19)8-6-15/h5-11,14,18,20H,3-4H2,1-2H3
InChIKeyNQNGZOATICGLID-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-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline
CID 43764004
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methylaniline
CID 43757413
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline
CID 43765901
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4-fluoroaniline
CID 43772410
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422408
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-difluoro-4-methylaniline
CID 103584657
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-fluoro-2-methylaniline
CID 43764120
5-bromo-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-fluoroaniline
CID 43777577
5-N-[(4-chlorophenyl)-cyclopropylmethyl]-2-N,2-N-dimethylpyridine-2,5-diamine
CID 43782597
N-[(4-chlorophenyl)-cyclopropylmethyl]-4-methoxy-2-methylaniline
CID 63477376
N-[cyclopropyl-(4-methylphenyl)methyl]-2-fluoro-5-methylaniline
CID 43772771
3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]benzamide
CID 43767608

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline?
The IUPAC name of N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline (CID 43764005) is N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline.
What is the SMILES notation for N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline?
The canonical SMILES for N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline is Cc1cc(C)cc(NC(c2ccc(Cl)cc2)C2CC2)c1.
What is the InChIKey of N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline?
The InChIKey is NQNGZOATICGLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-12-9-13(2)11-17(10-12)20-18(14-3-4-14)15-5-7-16(19)8-6-15/h5-11,14,18,20H,3-4H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline?
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-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]-3,5-dimethylaniline is sourced from PubChem (CID 43764005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).