1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine

C16H24ClN — CID 114107361

IUPAC1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine
SMILESCCC(NCC1(CC)CCC1)c1cccc(Cl)c1
InChIInChI=1S/C16H24ClN/c1-3-15(13-7-5-8-14(17)11-13)18-12-16(4-2)9-6-10-16/h5,7-8,11,15,18H,3-4,6,9-10,12H2,1-2H3
InChIKeyVNRUMIONGZLETI-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.96
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine

1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine (PubChem CID 114107361) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine
PubChem CID114107361
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC Name1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine
SMILESCCC(NCC1(CC)CCC1)c1cccc(Cl)c1
InChIInChI=1S/C16H24ClN/c1-3-15(13-7-5-8-14(17)11-13)18-12-16(4-2)9-6-10-16/h5,7-8,11,15,18H,3-4,6,9-10,12H2,1-2H3
InChIKeyVNRUMIONGZLETI-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[1-(3-chlorophenyl)propylamino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115735
1-(3-chlorophenyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 79352671
N-[1-(3-chlorophenyl)propyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358685
[1-[[1-(3-bromophenyl)propylamino]methyl]cyclopentyl]methanol
CID 115358941
3-[[1-(3-chlorophenyl)propylamino]methyl]-1,1-dioxothiolan-3-ol
CID 131961959
1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine
CID 43096371
3-[1-(3-chlorophenyl)propylamino]-2-methylpropan-1-ol
CID 65031717
N-[1-(3-chlorophenyl)propyl]but-2-yn-1-amine
CID 115896884
1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol
CID 115668066
N-[1-(3-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43104352
N-[1-(3-chlorophenyl)propyl]cyclopent-3-en-1-amine
CID 115728338
N-[1-(3-chlorophenyl)propyl]-1-cyclohexylpropan-1-amine
CID 63477846

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine (CID 114107361) is 1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine is CCC(NCC1(CC)CCC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine?
The InChIKey is VNRUMIONGZLETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-3-15(13-7-5-8-14(17)11-13)18-12-16(4-2)9-6-10-16/h5,7-8,11,15,18H,3-4,6,9-10,12H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine?
1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine is sourced from PubChem (CID 114107361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).