1-benzyl-4-(fluoromethyl)azepan-4-amine

C14H21FN2 — CID 115041654

IUPAC1-benzyl-4-(fluoromethyl)azepan-4-amine
SMILESNC1(CF)CCCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H21FN2/c15-12-14(16)7-4-9-17(10-8-14)11-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12,16H2
InChIKeyLUMQVERANCAFLA-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.34
Rot. Bonds3

About 1-benzyl-4-(fluoromethyl)azepan-4-amine

1-benzyl-4-(fluoromethyl)azepan-4-amine (PubChem CID 115041654) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 1-benzyl-4-(fluoromethyl)azepan-4-amine.

Molecular Properties

Compound Name1-benzyl-4-(fluoromethyl)azepan-4-amine
PubChem CID115041654
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name1-benzyl-4-(fluoromethyl)azepan-4-amine
SMILESNC1(CF)CCCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H21FN2/c15-12-14(16)7-4-9-17(10-8-14)11-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12,16H2
InChIKeyLUMQVERANCAFLA-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-amino-1-benzylpiperidin-3-yl]methanol
CID 51892328
[(3S)-3-amino-1-benzylpyrrolidin-3-yl]methanol
CID 93087782
1-benzylazepane
CID 10954328
1-benzyl-4-(2-methoxyethyl)piperidin-4-amine
CID 83912968
3-benzyl-9-(2-fluoroethyl)-3,9-diazaspiro[5.5]undecane
CID 138056197
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-[1-benzyl-4-(2-hydroxyethyl)azepan-4-yl]ethanol
CID 66700957
1-[(1-benzylazepan-4-yl)methyl]cyclopropan-1-amine
CID 83913262
1-benzylpyrrolidine;propane
CID 143692089
1-benzyl-3-fluoro-3-methylpiperidine
CID 136545779
1-benzyl-3-(2-fluorophenyl)piperidin-3-amine
CID 130137252
1-(1-benzylazepan-4-yl)cyclopropan-1-amine
CID 83912862

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(fluoromethyl)azepan-4-amine?
The IUPAC name of 1-benzyl-4-(fluoromethyl)azepan-4-amine (CID 115041654) is 1-benzyl-4-(fluoromethyl)azepan-4-amine.
What is the SMILES notation for 1-benzyl-4-(fluoromethyl)azepan-4-amine?
The canonical SMILES for 1-benzyl-4-(fluoromethyl)azepan-4-amine is NC1(CF)CCCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-(fluoromethyl)azepan-4-amine?
The InChIKey is LUMQVERANCAFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c15-12-14(16)7-4-9-17(10-8-14)11-13-5-2-1-3-6-13/h1-3,5-6H,4,7-12,16H2.
What are the key properties of 1-benzyl-4-(fluoromethyl)azepan-4-amine?
1-benzyl-4-(fluoromethyl)azepan-4-amine has a molecular weight of 236.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(fluoromethyl)azepan-4-amine is sourced from PubChem (CID 115041654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).