3-(3-fluorophenyl)-N-methylpentan-2-amine

C12H18FN — CID 114873130

IUPAC3-(3-fluorophenyl)-N-methylpentan-2-amine
SMILESCCC(c1cccc(F)c1)C(C)NC
InChIInChI=1S/C12H18FN/c1-4-12(9(2)14-3)10-6-5-7-11(13)8-10/h5-9,12,14H,4H2,1-3H3
InChIKeyURDPBSDOJCTLAP-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.93
Rot. Bonds4

About 3-(3-fluorophenyl)-N-methylpentan-2-amine

3-(3-fluorophenyl)-N-methylpentan-2-amine (PubChem CID 114873130) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-methylpentan-2-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-methylpentan-2-amine
PubChem CID114873130
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name3-(3-fluorophenyl)-N-methylpentan-2-amine
SMILESCCC(c1cccc(F)c1)C(C)NC
InChIInChI=1S/C12H18FN/c1-4-12(9(2)14-3)10-6-5-7-11(13)8-10/h5-9,12,14H,4H2,1-3H3
InChIKeyURDPBSDOJCTLAP-UHFFFAOYSA-N
XLogP2.93
TPSA12.03 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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-3-(2-methylpentan-3-yl)benzene
CID 20795498
2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 79446365
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
1-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 62607548
1-(1-bromopropyl)-3-fluorobenzene
CID 70101936
2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 79496374
2-butan-2-ylsulfanyl-1-(3-fluorophenyl)-N-methylethanamine
CID 65136489
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine
CID 105016444
N-ethyl-4,4-bis(3-fluorophenyl)-3-methylbutan-2-amine
CID 20642773
N-ethyl-2-(3-fluorophenyl)pentan-3-amine
CID 79308586
N-ethoxy-1-(3-fluorophenyl)propan-1-amine
CID 114871757

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-methylpentan-2-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-methylpentan-2-amine (CID 114873130) is 3-(3-fluorophenyl)-N-methylpentan-2-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-methylpentan-2-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-methylpentan-2-amine is CCC(c1cccc(F)c1)C(C)NC.
What is the InChIKey of 3-(3-fluorophenyl)-N-methylpentan-2-amine?
The InChIKey is URDPBSDOJCTLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-4-12(9(2)14-3)10-6-5-7-11(13)8-10/h5-9,12,14H,4H2,1-3H3.
What are the key properties of 3-(3-fluorophenyl)-N-methylpentan-2-amine?
3-(3-fluorophenyl)-N-methylpentan-2-amine has a molecular weight of 195.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-methylpentan-2-amine is sourced from PubChem (CID 114873130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).