1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine

C15H23ClN2O — CID 62987402

IUPAC1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
SMILESCCC(N)C(c1cccc(Cl)c1)N1CCCOCC1
InChIInChI=1S/C15H23ClN2O/c1-2-14(17)15(12-5-3-6-13(16)11-12)18-7-4-9-19-10-8-18/h3,5-6,11,14-15H,2,4,7-10,17H2,1H3
InChIKeyGOXMGQPKQKCAAI-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.84
Rot. Bonds4

About 1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine

1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine (PubChem CID 62987402) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
PubChem CID62987402
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
SMILESCCC(N)C(c1cccc(Cl)c1)N1CCCOCC1
InChIInChI=1S/C15H23ClN2O/c1-2-14(17)15(12-5-3-6-13(16)11-12)18-7-4-9-19-10-8-18/h3,5-6,11,14-15H,2,4,7-10,17H2,1H3
InChIKeyGOXMGQPKQKCAAI-UHFFFAOYSA-N
XLogP2.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
CID 55154267
1-(3-methoxyphenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
CID 62987584
1-(4-methylphenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine
CID 55153137
1-(1,4-oxazepan-4-yl)-1-pyridin-4-ylbutan-2-amine
CID 62988625
1-(3-chlorophenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine
CID 66393212
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-chlorophenyl)butan-2-amine
CID 65319355
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]propan-2-amine
CID 58948569
3-(3-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83924566
4-[1-(3-chlorophenyl)-2,2-dipyridin-3-ylethyl]morpholine
CID 66962797
1-(3-chlorophenyl)-1-(2,4-dimethylpiperidin-1-yl)butan-2-amine
CID 62330118
1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55019889
3-[1-[2-amino-1-(3-chlorophenyl)butyl]pyrrolidin-2-yl]propan-1-ol
CID 62469479

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine (CID 62987402) is 1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine is CCC(N)C(c1cccc(Cl)c1)N1CCCOCC1.
What is the InChIKey of 1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine?
The InChIKey is GOXMGQPKQKCAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-2-14(17)15(12-5-3-6-13(16)11-12)18-7-4-9-19-10-8-18/h3,5-6,11,14-15H,2,4,7-10,17H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine?
1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine has a molecular weight of 282.81 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-(1,4-oxazepan-4-yl)butan-2-amine is sourced from PubChem (CID 62987402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).