N-ethyl-4-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine

C15H24FNO — CID 64716592

IUPACN-ethyl-4-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
SMILESCCNC(C)CC(C)(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H24FNO/c1-6-17-11(2)10-15(3,4)12-7-8-14(18-5)13(16)9-12/h7-9,11,17H,6,10H2,1-5H3
InChIKeyFDOHORJOKWFDDQ-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.50
Rot. Bonds6

About N-ethyl-4-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine

N-ethyl-4-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine (PubChem CID 64716592) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is N-ethyl-4-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
PubChem CID64716592
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC NameN-ethyl-4-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
SMILESCCNC(C)CC(C)(C)c1ccc(OC)c(F)c1
InChIInChI=1S/C15H24FNO/c1-6-17-11(2)10-15(3,4)12-7-8-14(18-5)13(16)9-12/h7-9,11,17H,6,10H2,1-5H3
InChIKeyFDOHORJOKWFDDQ-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 43493755
1-N-[2-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]butane-1,3-diamine
CID 115199716
N-ethyl-4-(2-methoxyphenyl)-4-methylpentan-2-amine
CID 64718083
2-(3-fluoro-4-methoxyphenyl)-N-(hydrazinylmethyl)-2-methylpropan-1-amine
CID 115261404
N-ethyl-4-methyl-4-(4-propan-2-ylphenyl)pentan-2-amine
CID 64716808
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-fluoro-4-methoxyaniline
CID 110452442
3-[[2-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]propan-1-ol
CID 115217257
4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methyl-N-propylpentan-2-amine
CID 107290258
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanamide
CID 54889835
2-(3-fluoro-4-methoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61003000
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60697208

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine?
The IUPAC name of N-ethyl-4-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine (CID 64716592) is N-ethyl-4-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine.
What is the SMILES notation for N-ethyl-4-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine?
The canonical SMILES for N-ethyl-4-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine is CCNC(C)CC(C)(C)c1ccc(OC)c(F)c1.
What is the InChIKey of N-ethyl-4-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine?
The InChIKey is FDOHORJOKWFDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-6-17-11(2)10-15(3,4)12-7-8-14(18-5)13(16)9-12/h7-9,11,17H,6,10H2,1-5H3.
What are the key properties of N-ethyl-4-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine?
N-ethyl-4-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine has a molecular weight of 253.36 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine is sourced from PubChem (CID 64716592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).