N-(2,5-dichlorophenyl)oxepan-4-amine

C12H15Cl2NO — CID 65076765

IUPACN-(2,5-dichlorophenyl)oxepan-4-amine
SMILESClc1ccc(Cl)c(NC2CCCOCC2)c1
InChIInChI=1S/C12H15Cl2NO/c13-9-3-4-11(14)12(8-9)15-10-2-1-6-16-7-5-10/h3-4,8,10,15H,1-2,5-7H2
InChIKeyUFZVWLURAQNXAS-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.97
Rot. Bonds2

About N-(2,5-dichlorophenyl)oxepan-4-amine

N-(2,5-dichlorophenyl)oxepan-4-amine (PubChem CID 65076765) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)oxepan-4-amine.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)oxepan-4-amine
PubChem CID65076765
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC NameN-(2,5-dichlorophenyl)oxepan-4-amine
SMILESClc1ccc(Cl)c(NC2CCCOCC2)c1
InChIInChI=1S/C12H15Cl2NO/c13-9-3-4-11(14)12(8-9)15-10-2-1-6-16-7-5-10/h3-4,8,10,15H,1-2,5-7H2
InChIKeyUFZVWLURAQNXAS-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-chlorophenyl)oxepan-4-amine
CID 65079704
N-(2-chlorophenyl)oxepan-4-amine
CID 65076772
N-(2,5-difluorophenyl)oxepan-4-amine
CID 65076714
N-(5-chloro-2-ethoxyphenyl)oxan-4-amine
CID 54865465
N-(2-chlorothiophen-3-yl)oxepan-4-amine
CID 131160084
N-(2-chloro-4-nitrophenyl)oxepan-4-amine
CID 65081631
N-(2-bromo-5-chloro-4-methylphenyl)oxepan-4-amine
CID 113445409
2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64754843
5-chloro-2-(oxan-4-ylamino)benzenecarbothioamide
CID 55080277
N-(2,5-dichlorophenyl)-1-propylazepan-4-amine
CID 65072419
4-chloro-2-(oxan-3-ylamino)benzenecarbothioamide
CID 55191266
2,5-dichloro-N-(3-methoxycyclobutyl)aniline
CID 106821242

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)oxepan-4-amine?
The IUPAC name of N-(2,5-dichlorophenyl)oxepan-4-amine (CID 65076765) is N-(2,5-dichlorophenyl)oxepan-4-amine.
What is the SMILES notation for N-(2,5-dichlorophenyl)oxepan-4-amine?
The canonical SMILES for N-(2,5-dichlorophenyl)oxepan-4-amine is Clc1ccc(Cl)c(NC2CCCOCC2)c1.
What is the InChIKey of N-(2,5-dichlorophenyl)oxepan-4-amine?
The InChIKey is UFZVWLURAQNXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c13-9-3-4-11(14)12(8-9)15-10-2-1-6-16-7-5-10/h3-4,8,10,15H,1-2,5-7H2.
What are the key properties of N-(2,5-dichlorophenyl)oxepan-4-amine?
N-(2,5-dichlorophenyl)oxepan-4-amine has a molecular weight of 260.16 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)oxepan-4-amine is sourced from PubChem (CID 65076765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).