1-(4-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine

C15H24FNO — CID 116724396

IUPAC1-(4-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine
SMILESCNC(Cc1ccc(F)cc1)C(OC)C(C)(C)C
InChIInChI=1S/C15H24FNO/c1-15(2,3)14(18-5)13(17-4)10-11-6-8-12(16)9-7-11/h6-9,13-14,17H,10H2,1-5H3
InChIKeyKEPXRIITPILDSV-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.02
Rot. Bonds5

About 1-(4-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine

1-(4-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine (PubChem CID 116724396) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine
PubChem CID116724396
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-(4-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine
SMILESCNC(Cc1ccc(F)cc1)C(OC)C(C)(C)C
InChIInChI=1S/C15H24FNO/c1-15(2,3)14(18-5)13(17-4)10-11-6-8-12(16)9-7-11/h6-9,13-14,17H,10H2,1-5H3
InChIKeyKEPXRIITPILDSV-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724680
1-(2-chloro-6-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine
CID 116724461
3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine
CID 61065370
1,3-dimethoxy-N,4,4-trimethylpentan-2-amine
CID 116724510
3-(4-ethylphenyl)-1,1-dimethoxy-N-methylpropan-2-amine
CID 79492024
3-(4-tert-butylphenyl)-1,1-difluoro-N-methylpropan-2-amine
CID 103516515
1-(3,4-dichlorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724752
3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine
CID 79616456
3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine
CID 116724435
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methoxy-4,4-dimethylpentan-2-amine
CID 103049142
[1-(4-fluorophenyl)-3-methoxy-3-methylpentan-2-yl]hydrazine
CID 105274321
[1-(2-fluoro-3-methoxyphenyl)-3-methoxy-4,4-dimethylpentan-2-yl]hydrazine
CID 105273616

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine (CID 116724396) is 1-(4-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine is CNC(Cc1ccc(F)cc1)C(OC)C(C)(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine?
The InChIKey is KEPXRIITPILDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-15(2,3)14(18-5)13(17-4)10-11-6-8-12(16)9-7-11/h6-9,13-14,17H,10H2,1-5H3.
What are the key properties of 1-(4-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine?
1-(4-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine has a molecular weight of 253.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methoxy-N,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 116724396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).