2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine

C15H24FN — CID 79440674

IUPAC2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine
SMILESCC(C)CC(CNC(C)C)c1cccc(F)c1
InChIInChI=1S/C15H24FN/c1-11(2)8-14(10-17-12(3)4)13-6-5-7-15(16)9-13/h5-7,9,11-12,14,17H,8,10H2,1-4H3
InChIKeyOQHGYPIMOQNUNQ-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.95
Rot. Bonds6

About 2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine

2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 79440674) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine
PubChem CID79440674
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine
SMILESCC(C)CC(CNC(C)C)c1cccc(F)c1
InChIInChI=1S/C15H24FN/c1-11(2)8-14(10-17-12(3)4)13-6-5-7-15(16)9-13/h5-7,9,11-12,14,17H,8,10H2,1-4H3
InChIKeyOQHGYPIMOQNUNQ-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950529
2-(3-fluorophenyl)-5-methylsulfonyl-N-propan-2-ylpentan-1-amine
CID 79440058
2-(3-fluorophenyl)-4-methyl-N-(2-methylpropyl)hexan-1-amine
CID 79440359
2-(3-fluorophenyl)-5-(2-methoxyethoxy)-N-propan-2-ylpentan-1-amine
CID 103412616
3-(5-bromo-3-pyridinyl)-2-(3-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 104810835
2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 79441055
2-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine
CID 103014694
N-[(1S)-1-(3-fluorophenyl)ethyl]-4-methylpentan-2-amine
CID 81364871
N-[1-(3-fluorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43098837
(1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171218667
(1R)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199148
N-[2-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 62110751

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine (CID 79440674) is 2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine is CC(C)CC(CNC(C)C)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is OQHGYPIMOQNUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-11(2)8-14(10-17-12(3)4)13-6-5-7-15(16)9-13/h5-7,9,11-12,14,17H,8,10H2,1-4H3.
What are the key properties of 2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine?
2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 79440674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).