N-(2-chlorophenyl)oxepan-4-amine

C12H16ClNO — CID 65076772

IUPACN-(2-chlorophenyl)oxepan-4-amine
SMILESClc1ccccc1NC1CCCOCC1
InChIInChI=1S/C12H16ClNO/c13-11-5-1-2-6-12(11)14-10-4-3-8-15-9-7-10/h1-2,5-6,10,14H,3-4,7-9H2
InChIKeyFUSKTWKFKHNZQU-UHFFFAOYSA-N
MW225.72 g/mol
LogP3.32
Rot. Bonds2

About N-(2-chlorophenyl)oxepan-4-amine

N-(2-chlorophenyl)oxepan-4-amine (PubChem CID 65076772) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-(2-chlorophenyl)oxepan-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)oxepan-4-amine
PubChem CID65076772
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-(2-chlorophenyl)oxepan-4-amine
SMILESClc1ccccc1NC1CCCOCC1
InChIInChI=1S/C12H16ClNO/c13-11-5-1-2-6-12(11)14-10-4-3-8-15-9-7-10/h1-2,5-6,10,14H,3-4,7-9H2
InChIKeyFUSKTWKFKHNZQU-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)oxepan-4-amine
CID 65076765
N-(5-bromo-2-chlorophenyl)oxepan-4-amine
CID 65079704
N-(3-chloro-2-pyrrolidin-1-ylphenyl)oxan-4-amine
CID 50970392
N-(2-chlorothiophen-3-yl)oxepan-4-amine
CID 131160084
3-chloro-2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 43739695
N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]oxepan-4-amine
CID 65081489
4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027455
2-methyl-N-(oxepan-4-yl)pyridin-3-amine
CID 79042531
N-(2-chloro-4-nitrophenyl)oxepan-4-amine
CID 65081631
N-(2-chlorophenyl)-1-cyclopentylpiperidin-1-ium-4-amine
CID 7370784
N-(2-bromo-3-chlorophenyl)oxan-3-amine
CID 103478147
3-chloro-1-N-(oxan-3-yl)benzene-1,2-diamine
CID 104834544

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)oxepan-4-amine?
The IUPAC name of N-(2-chlorophenyl)oxepan-4-amine (CID 65076772) is N-(2-chlorophenyl)oxepan-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)oxepan-4-amine?
The canonical SMILES for N-(2-chlorophenyl)oxepan-4-amine is Clc1ccccc1NC1CCCOCC1.
What is the InChIKey of N-(2-chlorophenyl)oxepan-4-amine?
The InChIKey is FUSKTWKFKHNZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c13-11-5-1-2-6-12(11)14-10-4-3-8-15-9-7-10/h1-2,5-6,10,14H,3-4,7-9H2.
What are the key properties of N-(2-chlorophenyl)oxepan-4-amine?
N-(2-chlorophenyl)oxepan-4-amine has a molecular weight of 225.72 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)oxepan-4-amine is sourced from PubChem (CID 65076772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).