N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine

C14H20ClFN2 — CID 104974374

IUPACN-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine
SMILESCN(Cc1cc(Cl)ccc1F)C1CCCNCC1
InChIInChI=1S/C14H20ClFN2/c1-18(13-3-2-7-17-8-6-13)10-11-9-12(15)4-5-14(11)16/h4-5,9,13,17H,2-3,6-8,10H2,1H3
InChIKeyJHMICSOXUCRJJW-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.05
Rot. Bonds3

About N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine

N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine (PubChem CID 104974374) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine.

Molecular Properties

Compound NameN-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine
PubChem CID104974374
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC NameN-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine
SMILESCN(Cc1cc(Cl)ccc1F)C1CCCNCC1
InChIInChI=1S/C14H20ClFN2/c1-18(13-3-2-7-17-8-6-13)10-11-9-12(15)4-5-14(11)16/h4-5,9,13,17H,2-3,6-8,10H2,1H3
InChIKeyJHMICSOXUCRJJW-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,5-dichlorophenyl)methyl]-N-methylazepan-4-amine
CID 103519944
N-[(6-chloro-1H-indol-3-yl)methyl]-N-methylazepan-4-amine
CID 107171927
N-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine
CID 104974386
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N-methylazepan-4-amine
CID 104974295
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120851650
4-chloro-2-[[cyclopentyl(methyl)amino]methyl]aniline
CID 79583179
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
4-[[azepan-4-yl(methyl)amino]methyl]-2-fluorophenol
CID 107692170
4-chloro-2-[[cyclohexyl(methyl)amino]methyl]aniline
CID 79583096
N-[(2-bromo-4-methylphenyl)methyl]-N-methylazepan-4-amine
CID 107172051
N-[(2-chloro-4-nitrophenyl)methyl]-N-methylazepan-4-amine
CID 104974321
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylazepan-4-amine
CID 104974360

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine?
The IUPAC name of N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine (CID 104974374) is N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine.
What is the SMILES notation for N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine?
The canonical SMILES for N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine is CN(Cc1cc(Cl)ccc1F)C1CCCNCC1.
What is the InChIKey of N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine?
The InChIKey is JHMICSOXUCRJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-18(13-3-2-7-17-8-6-13)10-11-9-12(15)4-5-14(11)16/h4-5,9,13,17H,2-3,6-8,10H2,1H3.
What are the key properties of N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine?
N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine has a molecular weight of 270.78 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine is sourced from PubChem (CID 104974374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).