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

C15H24FNO — CID 64720986

IUPAC4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H24FNO/c1-5-8-17-12(3)9-11(2)13-6-7-15(18-4)14(16)10-13/h6-7,10-12,17H,5,8-9H2,1-4H3
InChIKeyFPHHTXKPHJWLEY-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.72
Rot. Bonds7

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

4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine (PubChem CID 64720986) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine
PubChem CID64720986
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H24FNO/c1-5-8-17-12(3)9-11(2)13-6-7-15(18-4)14(16)10-13/h6-7,10-12,17H,5,8-9H2,1-4H3
InChIKeyFPHHTXKPHJWLEY-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloro-3-methoxyphenyl)-N-propylpentan-2-amine
CID 79700435
4-(4-fluoro-3-methylphenyl)-N-propylpentan-2-amine
CID 64720996
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpropan-1-amine
CID 79617446
4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine
CID 64718995
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207
N-[1-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 65136905
1-(3-fluoro-4-methoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79089310
1-(3-fluoro-4-methoxyphenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719391
1-(3-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 115849720
N-[(3-fluoro-4-methoxyphenyl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 65413801
3-(3-fluoro-4-methoxyphenyl)-3-(propylamino)propanoic acid
CID 65234362
4-(3,4-difluorophenyl)-N-ethylpentan-2-amine
CID 64719429

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine (CID 64720986) is 4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine is CCCNC(C)CC(C)c1ccc(OC)c(F)c1.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine?
The InChIKey is FPHHTXKPHJWLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-5-8-17-12(3)9-11(2)13-6-7-15(18-4)14(16)10-13/h6-7,10-12,17H,5,8-9H2,1-4H3.
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine?
4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine has a molecular weight of 253.36 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-N-propylpentan-2-amine is sourced from PubChem (CID 64720986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).