N-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine

C15H24FN — CID 54949998

IUPACN-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine
SMILESCCC(NC(C)C(C)CC)c1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-5-11(3)12(4)17-15(6-2)13-7-9-14(16)10-8-13/h7-12,15,17H,5-6H2,1-4H3
InChIKeyAHUULWOPMXMQOP-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.30
Rot. Bonds6

About N-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine

N-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine (PubChem CID 54949998) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine
PubChem CID54949998
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine
SMILESCCC(NC(C)C(C)CC)c1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-5-11(3)12(4)17-15(6-2)13-7-9-14(16)10-8-13/h7-12,15,17H,5-6H2,1-4H3
InChIKeyAHUULWOPMXMQOP-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)propyl]-3-methylpentan-2-amine
CID 43692297
1-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 43096584
(2R)-2-[[(1S)-1-(4-fluorophenyl)propyl]amino]propan-1-ol
CID 93082731
N-[1-(4-fluorophenyl)propyl]-3,3-dimethylbutan-2-amine
CID 104827878
1-(4-fluorophenyl)-N-[1-(4-methylphenyl)ethyl]propan-1-amine
CID 60946165
N-[1-(4-fluorophenyl)ethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 43180837
3-[[2-amino-1-(4-fluorophenyl)ethyl]amino]-2-methylbutan-1-ol
CID 113484764
1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 81389010
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405940
1-(4-fluorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405768
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine (CID 54949998) is N-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine is CCC(NC(C)C(C)CC)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine?
The InChIKey is AHUULWOPMXMQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-5-11(3)12(4)17-15(6-2)13-7-9-14(16)10-8-13/h7-12,15,17H,5-6H2,1-4H3.
What are the key properties of N-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine?
N-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine has a molecular weight of 237.36 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propyl]-3-methylpentan-2-amine is sourced from PubChem (CID 54949998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).