N-(2,5-dichlorophenyl)-1-propylazepan-4-amine

C15H22Cl2N2 — CID 65072419

IUPACN-(2,5-dichlorophenyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H22Cl2N2/c1-2-8-19-9-3-4-13(7-10-19)18-15-11-12(16)5-6-14(15)17/h5-6,11,13,18H,2-4,7-10H2,1H3
InChIKeyZKWNHOOTHPPWLS-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.67
Rot. Bonds4

About N-(2,5-dichlorophenyl)-1-propylazepan-4-amine

N-(2,5-dichlorophenyl)-1-propylazepan-4-amine (PubChem CID 65072419) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-1-propylazepan-4-amine.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-1-propylazepan-4-amine
PubChem CID65072419
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC NameN-(2,5-dichlorophenyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H22Cl2N2/c1-2-8-19-9-3-4-13(7-10-19)18-15-11-12(16)5-6-14(15)17/h5-6,11,13,18H,2-4,7-10H2,1H3
InChIKeyZKWNHOOTHPPWLS-UHFFFAOYSA-N
XLogP4.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-1-propylazepan-4-amine
CID 65072787
N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine
CID 43716478
5-chloro-2-[(1-propylpiperidin-4-yl)amino]benzonitrile
CID 62493841
7-chloro-N-(1-propylpiperidin-4-yl)quinolin-4-amine
CID 60667072
N-(2-chloro-6-methylphenyl)-1-propylazepan-4-amine
CID 66251857
N-(5-fluoro-2-methylphenyl)-1-propylazepan-4-amine
CID 65072389
N-(4-iodo-2-methylphenyl)-1-propylazepan-4-amine
CID 65074070
N-(2-bromo-5-methylphenyl)-1-propylazepan-4-amine
CID 82761578
N-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine
CID 65073245
N-(2-chloro-5-methylsulfonylphenyl)-1-ethylazepan-4-amine
CID 65074551
N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine
CID 104775951
4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide
CID 65074007

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-1-propylazepan-4-amine?
The IUPAC name of N-(2,5-dichlorophenyl)-1-propylazepan-4-amine (CID 65072419) is N-(2,5-dichlorophenyl)-1-propylazepan-4-amine.
What is the SMILES notation for N-(2,5-dichlorophenyl)-1-propylazepan-4-amine?
The canonical SMILES for N-(2,5-dichlorophenyl)-1-propylazepan-4-amine is CCCN1CCCC(Nc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of N-(2,5-dichlorophenyl)-1-propylazepan-4-amine?
The InChIKey is ZKWNHOOTHPPWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-2-8-19-9-3-4-13(7-10-19)18-15-11-12(16)5-6-14(15)17/h5-6,11,13,18H,2-4,7-10H2,1H3.
What are the key properties of N-(2,5-dichlorophenyl)-1-propylazepan-4-amine?
N-(2,5-dichlorophenyl)-1-propylazepan-4-amine has a molecular weight of 301.26 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-1-propylazepan-4-amine is sourced from PubChem (CID 65072419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).