4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine

C15H24FN — CID 64720996

IUPAC4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)c1ccc(F)c(C)c1
InChIInChI=1S/C15H24FN/c1-5-8-17-13(4)9-11(2)14-6-7-15(16)12(3)10-14/h6-7,10-11,13,17H,5,8-9H2,1-4H3
InChIKeyQYMQQIGXHCPUQV-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.02
Rot. Bonds6

About 4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine

4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine (PubChem CID 64720996) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine
PubChem CID64720996
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)c1ccc(F)c(C)c1
InChIInChI=1S/C15H24FN/c1-5-8-17-13(4)9-11(2)14-6-7-15(16)12(3)10-14/h6-7,10-11,13,17H,5,8-9H2,1-4H3
InChIKeyQYMQQIGXHCPUQV-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine
CID 64720986
3-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 81018563
N-[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413566
1-(4-fluoro-3-methylphenyl)-4-methyl-N-propylpentan-1-amine
CID 63413988
4-(3,4-difluorophenyl)-N-ethylpentan-2-amine
CID 64719429
1-(4-fluoro-3-methylphenyl)-3-methoxy-N-propylbutan-1-amine
CID 113391484
4-(3-chlorophenyl)-N-propylpentan-2-amine
CID 64721439
2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile
CID 62121158
N-[(4-fluoro-3-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 60929622
1-(4-fluoro-3-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161130
N-[(4-fluoro-3-methylphenyl)-(5-iodothiophen-3-yl)methyl]propan-1-amine
CID 79747223
ethyl 2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetate
CID 62121338

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine (CID 64720996) is 4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine is CCCNC(C)CC(C)c1ccc(F)c(C)c1.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine?
The InChIKey is QYMQQIGXHCPUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-5-8-17-13(4)9-11(2)14-6-7-15(16)12(3)10-14/h6-7,10-11,13,17H,5,8-9H2,1-4H3.
What are the key properties of 4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine?
4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine has a molecular weight of 237.36 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine is sourced from PubChem (CID 64720996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).