[4-(azocan-1-yl)-2-fluorophenyl]methanamine

C14H21FN2 — CID 115366666

IUPAC[4-(azocan-1-yl)-2-fluorophenyl]methanamine
SMILESNCc1ccc(N2CCCCCCC2)cc1F
InChIInChI=1S/C14H21FN2/c15-14-10-13(7-6-12(14)11-16)17-8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9,11,16H2
InChIKeyFCGXNGKZTFBWOH-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.05
Rot. Bonds2

About [4-(azocan-1-yl)-2-fluorophenyl]methanamine

[4-(azocan-1-yl)-2-fluorophenyl]methanamine (PubChem CID 115366666) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is [4-(azocan-1-yl)-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(azocan-1-yl)-2-fluorophenyl]methanamine
PubChem CID115366666
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name[4-(azocan-1-yl)-2-fluorophenyl]methanamine
SMILESNCc1ccc(N2CCCCCCC2)cc1F
InChIInChI=1S/C14H21FN2/c15-14-10-13(7-6-12(14)11-16)17-8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9,11,16H2
InChIKeyFCGXNGKZTFBWOH-UHFFFAOYSA-N
XLogP3.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine
CID 115366849
(2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine
CID 115366694
3-(2-fluoro-4-pyrrolidin-1-ylphenyl)propan-1-amine
CID 170878920
[4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine
CID 113295404
[4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine
CID 115366831
1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide
CID 115366710
[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-fluorophenyl]methanamine
CID 107453127
1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624320
[2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine
CID 115366639
[4-(2-ethylpiperidin-1-yl)-2-fluorophenyl]methanamine
CID 115366675
1-[3-bromo-4-[(2-bromo-4-piperidin-1-ylphenyl)methyl]phenyl]piperidine
CID 90423876
1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidine-2-carboxamide
CID 113295375

Frequently Asked Questions

What is the IUPAC name of [4-(azocan-1-yl)-2-fluorophenyl]methanamine?
The IUPAC name of [4-(azocan-1-yl)-2-fluorophenyl]methanamine (CID 115366666) is [4-(azocan-1-yl)-2-fluorophenyl]methanamine.
What is the SMILES notation for [4-(azocan-1-yl)-2-fluorophenyl]methanamine?
The canonical SMILES for [4-(azocan-1-yl)-2-fluorophenyl]methanamine is NCc1ccc(N2CCCCCCC2)cc1F.
What is the InChIKey of [4-(azocan-1-yl)-2-fluorophenyl]methanamine?
The InChIKey is FCGXNGKZTFBWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c15-14-10-13(7-6-12(14)11-16)17-8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9,11,16H2.
What are the key properties of [4-(azocan-1-yl)-2-fluorophenyl]methanamine?
[4-(azocan-1-yl)-2-fluorophenyl]methanamine has a molecular weight of 236.33 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azocan-1-yl)-2-fluorophenyl]methanamine is sourced from PubChem (CID 115366666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).