N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine

C13H18ClFN2 — CID 65071350

IUPACN-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine
SMILESCN1CCCC(Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C13H18ClFN2/c1-17-7-2-3-11(6-8-17)16-13-5-4-10(15)9-12(13)14/h4-5,9,11,16H,2-3,6-8H2,1H3
InChIKeyFHOYWVKRHXCUBM-UHFFFAOYSA-N
MW256.75 g/mol
LogP3.38
Rot. Bonds2

About N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine

N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine (PubChem CID 65071350) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine
PubChem CID65071350
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC NameN-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine
SMILESCN1CCCC(Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C13H18ClFN2/c1-17-7-2-3-11(6-8-17)16-13-5-4-10(15)9-12(13)14/h4-5,9,11,16H,2-3,6-8H2,1H3
InChIKeyFHOYWVKRHXCUBM-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 415628
CID 415628
CID 868366
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CID 867305
CID 867305
CID 136736
CID 136736
CID 3017015
CID 3017015
CID 2846380
CID 2846380
CID 224501
CID 224501
CID 69864
CID 69864
CID 12118765
CID 12118765
CID 66758
CID 66758
CID 57550348
CID 57550348
CID 33788911
CID 33788911

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine (CID 65071350) is N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine is CN1CCCC(Nc2ccc(F)cc2Cl)CC1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine?
The InChIKey is FHOYWVKRHXCUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-17-7-2-3-11(6-8-17)16-13-5-4-10(15)9-12(13)14/h4-5,9,11,16H,2-3,6-8H2,1H3.
What are the key properties of N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine?
N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine has a molecular weight of 256.75 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine is sourced from PubChem (CID 65071350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).