2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine

C14H21FN2 — CID 6484142

IUPAC2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
SMILESNCC(c1ccc(F)cc1)N1CCCCCC1
InChIInChI=1S/C14H21FN2/c15-13-7-5-12(6-8-13)14(11-16)17-9-3-1-2-4-10-17/h5-8,14H,1-4,9-11,16H2
InChIKeyRWUVPSINUTZQTN-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.70
Rot. Bonds3

About 2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine

2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine (PubChem CID 6484142) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
PubChem CID6484142
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
SMILESNCC(c1ccc(F)cc1)N1CCCCCC1
InChIInChI=1S/C14H21FN2/c15-13-7-5-12(6-8-13)14(11-16)17-9-3-1-2-4-10-17/h5-8,14H,1-4,9-11,16H2
InChIKeyRWUVPSINUTZQTN-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine?
The IUPAC name of 2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine (CID 6484142) is 2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine is NCC(c1ccc(F)cc1)N1CCCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine?
The InChIKey is RWUVPSINUTZQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c15-13-7-5-12(6-8-13)14(11-16)17-9-3-1-2-4-10-17/h5-8,14H,1-4,9-11,16H2.
What are the key properties of 2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine?
2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine has a molecular weight of 236.33 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 6484142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).