N-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine

C16H24ClN — CID 107561829

IUPACN-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(Cl)c1)C1CC1(C)C
InChIInChI=1S/C16H24ClN/c1-5-8-18-15(13-10-16(13,3)4)12-7-6-11(2)14(17)9-12/h6-7,9,13,15,18H,5,8,10H2,1-4H3
InChIKeyBAIHYFZMEAUBHP-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.74
Rot. Bonds5

About N-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine

N-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine (PubChem CID 107561829) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
PubChem CID107561829
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(Cl)c1)C1CC1(C)C
InChIInChI=1S/C16H24ClN/c1-5-8-18-15(13-10-16(13,3)4)12-7-6-11(2)14(17)9-12/h6-7,9,13,15,18H,5,8,10H2,1-4H3
InChIKeyBAIHYFZMEAUBHP-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-methylphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107562085
N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001092
N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine
CID 107001090
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine
CID 107001220
N-[(3-chloro-4-methylphenyl)-(3-ethylcyclohexyl)methyl]propan-1-amine
CID 104992258
N-[(3-chloro-4-methylphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 107560838
7-[(2,2-dimethylcyclopropyl)-(propylamino)methyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 107001262
N-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 107001147
N-[(2,2-dimethylcyclopentyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 107177570
1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053110
N-[(2,2-dimethylcyclopropyl)-(furan-2-yl)methyl]propan-1-amine
CID 107001178
1-(3-chloro-4-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 107560280

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine (CID 107561829) is N-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine is CCCNC(c1ccc(C)c(Cl)c1)C1CC1(C)C.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine?
The InChIKey is BAIHYFZMEAUBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-5-8-18-15(13-10-16(13,3)4)12-7-6-11(2)14(17)9-12/h6-7,9,13,15,18H,5,8,10H2,1-4H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine?
N-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methyl]propan-1-amine is sourced from PubChem (CID 107561829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).