2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-amine

C16H26FNO — CID 62725099

IUPAC2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-amine
SMILESCCCCC(CC)(CN)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C16H26FNO/c1-4-6-9-16(5-2,12-18)11-13-7-8-15(19-3)14(17)10-13/h7-8,10H,4-6,9,11-12,18H2,1-3H3
InChIKeyUHQXRTCAPAAWFQ-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.92
Rot. Bonds8

About 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-amine

2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-amine (PubChem CID 62725099) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-amine
PubChem CID62725099
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-amine
SMILESCCCCC(CC)(CN)Cc1ccc(OC)c(F)c1
InChIInChI=1S/C16H26FNO/c1-4-6-9-16(5-2,12-18)11-13-7-8-15(19-3)14(17)10-13/h7-8,10H,4-6,9,11-12,18H2,1-3H3
InChIKeyUHQXRTCAPAAWFQ-UHFFFAOYSA-N
XLogP3.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-ol
CID 66057665
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-ol
CID 66058297
2-[(3,4-dimethoxyphenyl)methyl]-2-ethylbutan-1-amine
CID 82111063
2-[(3,4-difluorophenyl)methyl]-2-ethylbutan-1-amine
CID 82929509
2-(aminomethyl)-2-(cyclopropylmethyl)-3-(3-fluoro-4-methoxyphenyl)propan-1-ol
CID 106506836
2-fluoro-2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 112566865
2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 106506240
2-benzyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 79008622
2-ethyl-2-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-N-propylbutane-1,2-diamine
CID 62007608
1-(3-fluoro-4-methoxyphenyl)-4-methoxy-2-methylbutan-2-amine
CID 62620543
2-N,2-diethyl-2-N-[(3-fluoro-4-methoxyphenyl)methyl]butane-1,2-diamine
CID 62008398
1-(3-fluoro-4-methoxyphenyl)-3-methoxy-2-methylpropan-2-amine
CID 62622774

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-amine?
The IUPAC name of 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-amine (CID 62725099) is 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-amine is CCCCC(CC)(CN)Cc1ccc(OC)c(F)c1.
What is the InChIKey of 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-amine?
The InChIKey is UHQXRTCAPAAWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-4-6-9-16(5-2,12-18)11-13-7-8-15(19-3)14(17)10-13/h7-8,10H,4-6,9,11-12,18H2,1-3H3.
What are the key properties of 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-amine?
2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-amine has a molecular weight of 267.39 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]hexan-1-amine is sourced from PubChem (CID 62725099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).