N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine

C14H20F2N2 — CID 65070298

IUPACN-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine
SMILESCN1CCCC(NCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H20F2N2/c1-18-7-2-3-12(6-8-18)17-10-11-4-5-13(15)14(16)9-11/h4-5,9,12,17H,2-3,6-8,10H2,1H3
InChIKeyQCBPWSOVFJKSFI-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.54
Rot. Bonds3

About N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine

N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine (PubChem CID 65070298) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine
PubChem CID65070298
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine
SMILESCN1CCCC(NCc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H20F2N2/c1-18-7-2-3-12(6-8-18)17-10-11-4-5-13(15)14(16)9-11/h4-5,9,12,17H,2-3,6-8,10H2,1H3
InChIKeyQCBPWSOVFJKSFI-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine
CID 65070501
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070645
N-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-amine;dihydrochloride
CID 126650805
N-[(3,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091754
N-[[4-(dimethylamino)phenyl]methyl]-1-methylazepan-4-amine
CID 65071147
N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 106816236
4-[[(1-methylazepan-4-yl)amino]methyl]benzonitrile
CID 65070687
N-[(3,4-difluorophenyl)methyl]azepan-4-amine
CID 103981875
N-[(3-ethoxyphenyl)methyl]-1-methylazepan-4-amine
CID 65070534
N-[[4-(4-chlorophenyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 23614409
N-[[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 107453756
cyclopropyl-[4-[(3,4-difluorophenyl)methylamino]piperidin-1-yl]methanone
CID 43434746

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine (CID 65070298) is N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine is CN1CCCC(NCc2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine?
The InChIKey is QCBPWSOVFJKSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-18-7-2-3-12(6-8-18)17-10-11-4-5-13(15)14(16)9-11/h4-5,9,12,17H,2-3,6-8,10H2,1H3.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine?
N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine has a molecular weight of 254.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine is sourced from PubChem (CID 65070298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).