3-(2-fluorophenyl)-4-methylpentan-1-amine

C12H18FN — CID 82076064

IUPAC3-(2-fluorophenyl)-4-methylpentan-1-amine
SMILESCC(C)C(CCN)c1ccccc1F
InChIInChI=1S/C12H18FN/c1-9(2)10(7-8-14)11-5-3-4-6-12(11)13/h3-6,9-10H,7-8,14H2,1-2H3
InChIKeyMQJGIQPPTYOMIQ-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.91
Rot. Bonds4

About 3-(2-fluorophenyl)-4-methylpentan-1-amine

3-(2-fluorophenyl)-4-methylpentan-1-amine (PubChem CID 82076064) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-4-methylpentan-1-amine
PubChem CID82076064
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name3-(2-fluorophenyl)-4-methylpentan-1-amine
SMILESCC(C)C(CCN)c1ccccc1F
InChIInChI=1S/C12H18FN/c1-9(2)10(7-8-14)11-5-3-4-6-12(11)13/h3-6,9-10H,7-8,14H2,1-2H3
InChIKeyMQJGIQPPTYOMIQ-UHFFFAOYSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-chloro-3-methylbutan-2-yl)-2-fluorobenzene
CID 79019767
3-(2-fluorophenyl)-4-methoxybutan-1-amine
CID 115021065
2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66242392
2-(2-fluorophenyl)-4-methylpentan-1-amine
CID 79001901
1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949640
1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol
CID 65185567
3-(3-chloro-4-fluoro-2-methylphenyl)-4-methylpentan-1-amine
CID 84802311
3-(3-bromo-4-fluoro-2-methylphenyl)-4-methylpentan-1-amine
CID 84814432
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine
CID 94457975
5-amino-4-(2-fluorophenyl)pentan-2-ol
CID 81422471
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-4-methylpentan-1-amine?
The IUPAC name of 3-(2-fluorophenyl)-4-methylpentan-1-amine (CID 82076064) is 3-(2-fluorophenyl)-4-methylpentan-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-4-methylpentan-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)-4-methylpentan-1-amine is CC(C)C(CCN)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-4-methylpentan-1-amine?
The InChIKey is MQJGIQPPTYOMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-9(2)10(7-8-14)11-5-3-4-6-12(11)13/h3-6,9-10H,7-8,14H2,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-4-methylpentan-1-amine?
3-(2-fluorophenyl)-4-methylpentan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-4-methylpentan-1-amine is sourced from PubChem (CID 82076064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).