[2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine

C16H25FN2 — CID 104689110

IUPAC[2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine
SMILESCCC1CCCCCN1Cc1ccc(F)cc1CN
InChIInChI=1S/C16H25FN2/c1-2-16-6-4-3-5-9-19(16)12-13-7-8-15(17)10-14(13)11-18/h7-8,10,16H,2-6,9,11-12,18H2,1H3
InChIKeyCVDBFEFKHYGOKA-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.44
Rot. Bonds4

About [2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine

[2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine (PubChem CID 104689110) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is [2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine
PubChem CID104689110
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name[2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine
SMILESCCC1CCCCCN1Cc1ccc(F)cc1CN
InChIInChI=1S/C16H25FN2/c1-2-16-6-4-3-5-9-19(16)12-13-7-8-15(17)10-14(13)11-18/h7-8,10,16H,2-6,9,11-12,18H2,1H3
InChIKeyCVDBFEFKHYGOKA-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-ethylpiperidin-1-yl)methyl]-5-fluorobenzenecarbothioamide
CID 63292628
2-[(2-ethylpiperidin-1-yl)methyl]-4-fluorobenzoic acid
CID 107907513
4-[(2-ethylpiperidin-1-yl)methyl]-3-fluoroaniline
CID 64767866
[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methanamine
CID 43313937
1-[(4-bromo-2-fluorophenyl)methyl]-2-ethylazepane
CID 113441891
3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 83046101
[5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 63288576
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
1-[(2-chloro-5-fluorophenyl)methyl]-2-(chloromethyl)azepane
CID 102620248
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303973
[2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 83053433
[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine
CID 103494258

Frequently Asked Questions

What is the IUPAC name of [2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine?
The IUPAC name of [2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine (CID 104689110) is [2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine?
The canonical SMILES for [2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine is CCC1CCCCCN1Cc1ccc(F)cc1CN.
What is the InChIKey of [2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine?
The InChIKey is CVDBFEFKHYGOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-2-16-6-4-3-5-9-19(16)12-13-7-8-15(17)10-14(13)11-18/h7-8,10,16H,2-6,9,11-12,18H2,1H3.
What are the key properties of [2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine?
[2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine has a molecular weight of 264.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-ethylazepan-1-yl)methyl]-5-fluorophenyl]methanamine is sourced from PubChem (CID 104689110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).