4-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine

C16H26FNO — CID 65306008

IUPAC4-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCOc1ccc(CCC(C)(C)CNC(C)C)c(F)c1
InChIInChI=1S/C16H26FNO/c1-12(2)18-11-16(3,4)9-8-13-6-7-14(19-5)10-15(13)17/h6-7,10,12,18H,8-9,11H2,1-5H3
InChIKeyLHFSISBMPYAGPH-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.79
Rot. Bonds7

About 4-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine

4-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine (PubChem CID 65306008) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
PubChem CID65306008
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name4-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
SMILESCOc1ccc(CCC(C)(C)CNC(C)C)c(F)c1
InChIInChI=1S/C16H26FNO/c1-12(2)18-11-16(3,4)9-8-13-6-7-14(19-5)10-15(13)17/h6-7,10,12,18H,8-9,11H2,1-5H3
InChIKeyLHFSISBMPYAGPH-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-bromo-4-fluoro-2-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 103396834
4-(2-methoxy-5-methylphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine
CID 65306595
4-(2-bromo-4-methoxyphenyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 65306401
5-[(2-fluoro-4-methoxyphenyl)methylamino]-4,4-dimethylpentan-1-ol
CID 106147039
1-(2-fluoro-4-methoxyphenyl)-N,4,4-trimethylpentan-3-amine
CID 103396754
4-(2-chloro-4-methoxyphenyl)-N,2,2-trimethylbutan-1-amine
CID 65306448
N-[3-(2-fluoro-4-methoxyphenyl)propyl]-2-methylpropan-2-amine
CID 103396732
3-(4-chloro-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 114858536
3-[(2-fluoro-4-methoxyphenyl)methylamino]-2,2-dimethylpropan-1-ol
CID 102876575
3-(4-bromo-2-fluorophenyl)-2,2-dimethyl-N-propan-2-ylpropan-1-amine
CID 62726356
N-tert-butyl-4-(2-fluoro-4-methoxyphenyl)butan-1-amine
CID 65303427
1-[(2-fluoro-4-methoxyphenyl)methylamino]-4-methoxy-2-methylbutan-2-ol
CID 106254304

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine (CID 65306008) is 4-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine is COc1ccc(CCC(C)(C)CNC(C)C)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine?
The InChIKey is LHFSISBMPYAGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-12(2)18-11-16(3,4)9-8-13-6-7-14(19-5)10-15(13)17/h6-7,10,12,18H,8-9,11H2,1-5H3.
What are the key properties of 4-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine?
4-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methoxyphenyl)-2,2-dimethyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 65306008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).