N-[1-(2-fluorophenyl)ethyl]azepan-4-amine

C14H21FN2 — CID 103981604

IUPACN-[1-(2-fluorophenyl)ethyl]azepan-4-amine
SMILESCC(NC1CCCNCC1)c1ccccc1F
InChIInChI=1S/C14H21FN2/c1-11(13-6-2-3-7-14(13)15)17-12-5-4-9-16-10-8-12/h2-3,6-7,11-12,16-17H,4-5,8-10H2,1H3
InChIKeyGLEVYIGRQNWIFP-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.62
Rot. Bonds3

About N-[1-(2-fluorophenyl)ethyl]azepan-4-amine

N-[1-(2-fluorophenyl)ethyl]azepan-4-amine (PubChem CID 103981604) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]azepan-4-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]azepan-4-amine
PubChem CID103981604
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[1-(2-fluorophenyl)ethyl]azepan-4-amine
SMILESCC(NC1CCCNCC1)c1ccccc1F
InChIInChI=1S/C14H21FN2/c1-11(13-6-2-3-7-14(13)15)17-12-5-4-9-16-10-8-12/h2-3,6-7,11-12,16-17H,4-5,8-10H2,1H3
InChIKeyGLEVYIGRQNWIFP-UHFFFAOYSA-N
XLogP2.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]cyclooctanamine
CID 43080224
N-[1-(4-chlorophenyl)ethyl]azepan-4-amine
CID 113361388
N-[1-(2-fluorophenyl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448317
4-ethyl-N-[(1R)-1-(2-fluorophenyl)ethyl]cycloheptan-1-amine
CID 81380737
N-[(1R)-1-(2-fluorophenyl)ethyl]-1-propan-2-ylpiperidin-4-amine
CID 28716756
N-[(1R)-1-(2-methylphenyl)ethyl]piperidin-3-amine
CID 81373256
N-[(1S)-1-(furan-2-yl)ethyl]azepan-4-amine
CID 103982613
3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one
CID 55033727
N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 81351686
3-[1-(2-fluorophenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066344
N-[(1R)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 54000637
N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 81347749

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]azepan-4-amine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]azepan-4-amine (CID 103981604) is N-[1-(2-fluorophenyl)ethyl]azepan-4-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]azepan-4-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]azepan-4-amine is CC(NC1CCCNCC1)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]azepan-4-amine?
The InChIKey is GLEVYIGRQNWIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11(13-6-2-3-7-14(13)15)17-12-5-4-9-16-10-8-12/h2-3,6-7,11-12,16-17H,4-5,8-10H2,1H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]azepan-4-amine?
N-[1-(2-fluorophenyl)ethyl]azepan-4-amine has a molecular weight of 236.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]azepan-4-amine is sourced from PubChem (CID 103981604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).