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

C15H24FN — CID 114282016

IUPAC1-(4-fluorophenyl)-4-methyl-3-propan-2-ylpentan-2-amine
SMILESCC(C)C(C(C)C)C(N)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-10(2)15(11(3)4)14(17)9-12-5-7-13(16)8-6-12/h5-8,10-11,14-15H,9,17H2,1-4H3
InChIKeyOSUXGWSNMCYQOX-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.62
Rot. Bonds5

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

1-(4-fluorophenyl)-4-methyl-3-propan-2-ylpentan-2-amine (PubChem CID 114282016) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methyl-3-propan-2-ylpentan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methyl-3-propan-2-ylpentan-2-amine
PubChem CID114282016
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name1-(4-fluorophenyl)-4-methyl-3-propan-2-ylpentan-2-amine
SMILESCC(C)C(C(C)C)C(N)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-10(2)15(11(3)4)14(17)9-12-5-7-13(16)8-6-12/h5-8,10-11,14-15H,9,17H2,1-4H3
InChIKeyOSUXGWSNMCYQOX-UHFFFAOYSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-3-methoxybutan-2-amine
CID 79616204
(1R)-1,2-bis(4-fluorophenyl)ethanamine
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3-(4-fluorophenyl)-1-N,1-N-di(propan-2-yl)propane-1,2-diamine
CID 22958965
1-[2-(bromomethyl)-3-methylbutyl]-4-fluorobenzene
CID 66041241
4-(4-fluorophenyl)-3-methylbutan-1-amine
CID 79003663
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
3-(4-fluorophenyl)-2-methylpropane-1-thiol
CID 83930913
1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 50986534
1-(3-chloro-2-methylpropyl)-4-fluorobenzene
CID 64666750
1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 61079242
(2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 63009308
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012581

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methyl-3-propan-2-ylpentan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-4-methyl-3-propan-2-ylpentan-2-amine (CID 114282016) is 1-(4-fluorophenyl)-4-methyl-3-propan-2-ylpentan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methyl-3-propan-2-ylpentan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-4-methyl-3-propan-2-ylpentan-2-amine is CC(C)C(C(C)C)C(N)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-methyl-3-propan-2-ylpentan-2-amine?
The InChIKey is OSUXGWSNMCYQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-10(2)15(11(3)4)14(17)9-12-5-7-13(16)8-6-12/h5-8,10-11,14-15H,9,17H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-4-methyl-3-propan-2-ylpentan-2-amine?
1-(4-fluorophenyl)-4-methyl-3-propan-2-ylpentan-2-amine has a molecular weight of 237.36 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methyl-3-propan-2-ylpentan-2-amine is sourced from PubChem (CID 114282016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).