3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine

C15H24FNO — CID 116725273

IUPAC3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine
SMILESCCOC(C(N)Cc1cccc(F)c1)C(C)(C)C
InChIInChI=1S/C15H24FNO/c1-5-18-14(15(2,3)4)13(17)10-11-7-6-8-12(16)9-11/h6-9,13-14H,5,10,17H2,1-4H3
InChIKeyJHAVYWKRITYRBU-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.15
Rot. Bonds5

About 3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine

3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine (PubChem CID 116725273) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine
PubChem CID116725273
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine
SMILESCCOC(C(N)Cc1cccc(F)c1)C(C)(C)C
InChIInChI=1S/C15H24FNO/c1-5-18-14(15(2,3)4)13(17)10-11-7-6-8-12(16)9-11/h6-9,13-14H,5,10,17H2,1-4H3
InChIKeyJHAVYWKRITYRBU-UHFFFAOYSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-ol
CID 116712981
1-(2,6-dimethylphenyl)-3-ethoxy-4,4-dimethylpentan-2-amine
CID 116725277
1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine
CID 116725191
1-(3-fluorophenyl)-3-methoxybutan-2-amine
CID 79615959
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-amine
CID 116725223
2-ethoxy-3,3-dimethyl-1-[3-(2-methylpropyl)phenyl]butan-1-ol
CID 116713426
1-(2-bromo-3,3-dimethylbutyl)-3-fluorobenzene
CID 63543994
1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 79574359
1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine
CID 62602141
1-(2-chloro-5-fluorophenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 105395504
3-ethoxy-1-(3-fluorophenyl)-N-methylbutan-2-amine
CID 64532588
1-(3,3-diethoxypropyl)-3-fluorobenzene
CID 146004750

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine?
The IUPAC name of 3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine (CID 116725273) is 3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine?
The canonical SMILES for 3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine is CCOC(C(N)Cc1cccc(F)c1)C(C)(C)C.
What is the InChIKey of 3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine?
The InChIKey is JHAVYWKRITYRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-5-18-14(15(2,3)4)13(17)10-11-7-6-8-12(16)9-11/h6-9,13-14H,5,10,17H2,1-4H3.
What are the key properties of 3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine?
3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine has a molecular weight of 253.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(3-fluorophenyl)-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 116725273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).