1-(4-chlorophenyl)-1-cyclopropyl-N-[(3-methylphenyl)methyl]methanamine

C18H20ClN — CID 43221859

IUPAC1-(4-chlorophenyl)-1-cyclopropyl-N-[(3-methylphenyl)methyl]methanamine
SMILESCc1cccc(CNC(c2ccc(Cl)cc2)C2CC2)c1
InChIInChI=1S/C18H20ClN/c1-13-3-2-4-14(11-13)12-20-18(15-5-6-15)16-7-9-17(19)10-8-16/h2-4,7-11,15,18,20H,5-6,12H2,1H3
InChIKeyUOFNANCJRWWLQL-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.89
Rot. Bonds5

About 1-(4-chlorophenyl)-1-cyclopropyl-N-[(3-methylphenyl)methyl]methanamine

1-(4-chlorophenyl)-1-cyclopropyl-N-[(3-methylphenyl)methyl]methanamine (PubChem CID 43221859) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-cyclopropyl-N-[(3-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-cyclopropyl-N-[(3-methylphenyl)methyl]methanamine
PubChem CID43221859
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name1-(4-chlorophenyl)-1-cyclopropyl-N-[(3-methylphenyl)methyl]methanamine
SMILESCc1cccc(CNC(c2ccc(Cl)cc2)C2CC2)c1
InChIInChI=1S/C18H20ClN/c1-13-3-2-4-14(11-13)12-20-18(15-5-6-15)16-7-9-17(19)10-8-16/h2-4,7-11,15,18,20H,5-6,12H2,1H3
InChIKeyUOFNANCJRWWLQL-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-(4-methylphenyl)methanamine
CID 60713991
1-cyclopropyl-1-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 43768785
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-1-cyclopropylmethanamine
CID 43221853
1-(4-chlorophenyl)-2-[(3-methylphenyl)methylamino]ethanol
CID 60728914
(1R)-N-benzyl-1-(4-chlorophenyl)-1-[(2R)-thiiran-2-yl]methanamine
CID 132608354
N-[(5-bromo-2-fluorophenyl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine
CID 60658432
N-[(4-chlorophenyl)-cyclopropylmethyl]-3,5-dimethylaniline
CID 43764005
N-[(4-chlorophenyl)-cyclopropylmethyl]-2,5-dimethylaniline
CID 43765901
N-[(3-chlorophenyl)methyl]-1-cyclopropyl-1-thiophen-2-ylmethanamine
CID 60707258
3-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634406
N"-[(3-methylphenyl)methyl]methanetriamine
CID 144552123
1-cyclopropyl-1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 60714029

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-cyclopropyl-N-[(3-methylphenyl)methyl]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-1-cyclopropyl-N-[(3-methylphenyl)methyl]methanamine (CID 43221859) is 1-(4-chlorophenyl)-1-cyclopropyl-N-[(3-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-cyclopropyl-N-[(3-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-1-cyclopropyl-N-[(3-methylphenyl)methyl]methanamine is Cc1cccc(CNC(c2ccc(Cl)cc2)C2CC2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-1-cyclopropyl-N-[(3-methylphenyl)methyl]methanamine?
The InChIKey is UOFNANCJRWWLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-13-3-2-4-14(11-13)12-20-18(15-5-6-15)16-7-9-17(19)10-8-16/h2-4,7-11,15,18,20H,5-6,12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-1-cyclopropyl-N-[(3-methylphenyl)methyl]methanamine?
1-(4-chlorophenyl)-1-cyclopropyl-N-[(3-methylphenyl)methyl]methanamine has a molecular weight of 285.82 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-cyclopropyl-N-[(3-methylphenyl)methyl]methanamine is sourced from PubChem (CID 43221859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).