3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine

C15H24FN — CID 54896932

IUPAC3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-4-10-17-12(3)14(5-2)11-13-6-8-15(16)9-7-13/h6-9,12,14,17H,4-5,10-11H2,1-3H3
InChIKeyQCWTVNOEAJUBDO-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.78
Rot. Bonds7

About 3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine

3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine (PubChem CID 54896932) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine
PubChem CID54896932
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)Cc1ccc(F)cc1
InChIInChI=1S/C15H24FN/c1-4-10-17-12(3)14(5-2)11-13-6-8-15(16)9-7-13/h6-9,12,14,17H,4-5,10-11H2,1-3H3
InChIKeyQCWTVNOEAJUBDO-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-fluorophenyl)methyl]-N-methylpentan-2-amine
CID 61000357
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
3-[(2-bromo-5-fluorophenyl)methyl]-N-propylpentan-2-amine
CID 63400302
3-benzyl-4-phenyl-N-propylbutan-2-amine
CID 66438552
1-(4-fluorophenyl)-2,4-dimethyl-N-propylpentan-3-amine
CID 114834921
3-[(3-methylphenyl)methyl]-N-propylpentan-2-amine
CID 54896933
3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896930
1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 60820444
1-(4-fluorophenyl)-N-propylheptan-2-amine
CID 55187752
3-[(2-chlorophenyl)methyl]-N-propylpentan-2-amine
CID 54897030
3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine
CID 61065370
5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 64564942

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine (CID 54896932) is 3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine is CCCNC(C)C(CC)Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine?
The InChIKey is QCWTVNOEAJUBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-4-10-17-12(3)14(5-2)11-13-6-8-15(16)9-7-13/h6-9,12,14,17H,4-5,10-11H2,1-3H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine?
3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine has a molecular weight of 237.36 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-N-propylpentan-2-amine is sourced from PubChem (CID 54896932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).