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

C14H20BrFN2 — CID 104974386

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine
SMILESCN(Cc1ccc(F)cc1Br)C1CCCNCC1
InChIInChI=1S/C14H20BrFN2/c1-18(13-3-2-7-17-8-6-13)10-11-4-5-12(16)9-14(11)15/h4-5,9,13,17H,2-3,6-8,10H2,1H3
InChIKeyBJEHCGNOEZSFTR-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.16
Rot. Bonds3

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

N-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine (PubChem CID 104974386) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine
PubChem CID104974386
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine
SMILESCN(Cc1ccc(F)cc1Br)C1CCCNCC1
InChIInChI=1S/C14H20BrFN2/c1-18(13-3-2-7-17-8-6-13)10-11-4-5-12(16)9-14(11)15/h4-5,9,13,17H,2-3,6-8,10H2,1H3
InChIKeyBJEHCGNOEZSFTR-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-4-methylphenyl)methyl]-N-methylazepan-4-amine
CID 107172051
N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine
CID 60806488
N-[(2-bromo-4-fluorophenyl)methyl]-N-propylpiperidin-4-amine;hydrochloride
CID 119932804
N-[(5-chloro-2-fluorophenyl)methyl]-N-methylazepan-4-amine
CID 104974374
N-[(4,5-dibromofuran-2-yl)methyl]-N-methylazepan-4-amine
CID 107172131
N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119912776
N-[(2,4-difluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 63297959
N-[(2,5-dichlorophenyl)methyl]-N-methylazepan-4-amine
CID 103519944
N-[(2-bromo-4-fluorophenyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55192224
N-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913450
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylpiperidin-3-amine
CID 63643030
N-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-N-methylazepan-4-amine;hydrochloride
CID 120845449

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine (CID 104974386) is N-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine is CN(Cc1ccc(F)cc1Br)C1CCCNCC1.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine?
The InChIKey is BJEHCGNOEZSFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-18(13-3-2-7-17-8-6-13)10-11-4-5-12(16)9-14(11)15/h4-5,9,13,17H,2-3,6-8,10H2,1H3.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine?
N-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine has a molecular weight of 315.23 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methyl]-N-methylazepan-4-amine is sourced from PubChem (CID 104974386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).