N-[[1-(4-chlorophenyl)cyclobutyl]-(2-methylphenyl)methyl]ethanamine

C20H24ClN — CID 143871078

IUPACN-[[1-(4-chlorophenyl)cyclobutyl]-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C20H24ClN/c1-3-22-19(18-8-5-4-7-15(18)2)20(13-6-14-20)16-9-11-17(21)12-10-16/h4-5,7-12,19,22H,3,6,13-14H2,1-2H3
InChIKeyZSCJUKKWXPGWDS-UHFFFAOYSA-N
MW313.87 g/mol
LogP5.42
Rot. Bonds5

About N-[[1-(4-chlorophenyl)cyclobutyl]-(2-methylphenyl)methyl]ethanamine

N-[[1-(4-chlorophenyl)cyclobutyl]-(2-methylphenyl)methyl]ethanamine (PubChem CID 143871078) has the molecular formula C20H24ClN and a molecular weight of 313.87 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclobutyl]-(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclobutyl]-(2-methylphenyl)methyl]ethanamine
PubChem CID143871078
Molecular FormulaC20H24ClN
Molecular Weight313.87 g/mol
Exact Mass313.16
IUPAC NameN-[[1-(4-chlorophenyl)cyclobutyl]-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccccc1C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C20H24ClN/c1-3-22-19(18-8-5-4-7-15(18)2)20(13-6-14-20)16-9-11-17(21)12-10-16/h4-5,7-12,19,22H,3,6,13-14H2,1-2H3
InChIKeyZSCJUKKWXPGWDS-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.87
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine
CID 43489020
N-[(1-ethoxycyclopentyl)-(2-methylphenyl)methyl]ethanamine
CID 116762278
N-[(2,3-dichlorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 63417837
N-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 63417836
[(2-methylphenyl)-(1-phenylcyclopropyl)methyl]hydrazine
CID 105217005
N-[(4-bromothiophen-3-yl)-(1-phenylcyclopentyl)methyl]ethanamine
CID 79590126
N-[(2-chlorophenyl)-(1-methylcyclopentyl)methyl]ethanamine
CID 115801708
N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
CID 82883967
N-[(3-bromo-2-fluorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 106645549
N-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 107128711
N-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 55128692
N-[(1-methylcyclopentyl)-(2-methylphenyl)methyl]propan-1-amine
CID 115795037

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]-(2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclobutyl]-(2-methylphenyl)methyl]ethanamine (CID 143871078) is N-[[1-(4-chlorophenyl)cyclobutyl]-(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclobutyl]-(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclobutyl]-(2-methylphenyl)methyl]ethanamine is CCNC(c1ccccc1C)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclobutyl]-(2-methylphenyl)methyl]ethanamine?
The InChIKey is ZSCJUKKWXPGWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN/c1-3-22-19(18-8-5-4-7-15(18)2)20(13-6-14-20)16-9-11-17(21)12-10-16/h4-5,7-12,19,22H,3,6,13-14H2,1-2H3.
What are the key properties of N-[[1-(4-chlorophenyl)cyclobutyl]-(2-methylphenyl)methyl]ethanamine?
N-[[1-(4-chlorophenyl)cyclobutyl]-(2-methylphenyl)methyl]ethanamine has a molecular weight of 313.87 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclobutyl]-(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 143871078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).