[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine

C16H25FN2 — CID 103494258

IUPAC[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine
SMILESCC(C)C1CCN(Cc2ccc(F)cc2CN)CC1
InChIInChI=1S/C16H25FN2/c1-12(2)13-5-7-19(8-6-13)11-14-3-4-16(17)9-15(14)10-18/h3-4,9,12-13H,5-8,10-11,18H2,1-2H3
InChIKeyJZSQEGKHXZWABK-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.15
Rot. Bonds4

About [5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine

[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine (PubChem CID 103494258) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is [5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine
PubChem CID103494258
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine
SMILESCC(C)C1CCN(Cc2ccc(F)cc2CN)CC1
InChIInChI=1S/C16H25FN2/c1-12(2)13-5-7-19(8-6-13)11-14-3-4-16(17)9-15(14)10-18/h3-4,9,12-13H,5-8,10-11,18H2,1-2H3
InChIKeyJZSQEGKHXZWABK-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]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

[4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenyl]methanamine
CID 64763360
1-[(2-bromo-4-fluorophenyl)methyl]-4-propan-2-ylpiperidine
CID 103501620
[5-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 63288576
[4-fluoro-2-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 64769681
4-fluoro-2-[(4-propan-2-ylazepan-1-yl)methyl]phenol
CID 107701911
[5-fluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methanamine
CID 64570029
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 106835532
[5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 63289543
4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine
CID 106838045
2-[4-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 63289209
1-[[2-(aminomethyl)-4-fluorophenyl]methyl]piperidin-3-ol
CID 63289199

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine (CID 103494258) is [5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine is CC(C)C1CCN(Cc2ccc(F)cc2CN)CC1.
What is the InChIKey of [5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is JZSQEGKHXZWABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-12(2)13-5-7-19(8-6-13)11-14-3-4-16(17)9-15(14)10-18/h3-4,9,12-13H,5-8,10-11,18H2,1-2H3.
What are the key properties of [5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine?
[5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 264.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 103494258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).