1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine

C15H24FNO — CID 103396754

IUPAC1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine
SMILESCNC(CCc1ccc(OC)cc1F)C(C)(C)C
InChIInChI=1S/C15H24FNO/c1-15(2,3)14(17-4)9-7-11-6-8-12(18-5)10-13(11)16/h6,8,10,14,17H,7,9H2,1-5H3
InChIKeyYPEKDSSTKVGUEN-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.40
Rot. Bonds5

About 1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine

1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine (PubChem CID 103396754) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine
PubChem CID103396754
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine
SMILESCNC(CCc1ccc(OC)cc1F)C(C)(C)C
InChIInChI=1S/C15H24FNO/c1-15(2,3)14(17-4)9-7-11-6-8-12(18-5)10-13(11)16/h6,8,10,14,17H,7,9H2,1-5H3
InChIKeyYPEKDSSTKVGUEN-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-4-methylpentan-3-ol
CID 102878488
7-(4-methoxyphenyl)-N,2,2-trimethylheptan-3-amine
CID 65443642
N-[3-(2-fluoro-4-methoxyphenyl)propyl]-2-methylpropan-2-amine
CID 103396732
1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 43561378
N-tert-butyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 65303427
N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine
CID 107814945
4-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65306008
5-(2-fluoro-4-methoxyphenyl)pentan-1-amine
CID 65305702
1-(2-bromo-5-methoxyphenyl)-N-ethyl-4,4-dimethylpentan-3-amine
CID 65322935
CID 59418410
CID 59418410
N,4,4-trimethyl-1-(2,4,5-trimethylphenyl)pentan-3-amine
CID 64989716
1-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylpentan-3-amine
CID 114177538

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine (CID 103396754) is 1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine is CNC(CCc1ccc(OC)cc1F)C(C)(C)C.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine?
The InChIKey is YPEKDSSTKVGUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-15(2,3)14(17-4)9-7-11-6-8-12(18-5)10-13(11)16/h6,8,10,14,17H,7,9H2,1-5H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine?
1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine has a molecular weight of 253.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine is sourced from PubChem (CID 103396754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).