2-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]hexan-1-amine

C16H26FN — CID 114053767

IUPAC2-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]hexan-1-amine
SMILESCCCCC(CC)CNCc1cc(C)ccc1F
InChIInChI=1S/C16H26FN/c1-4-6-7-14(5-2)11-18-12-15-10-13(3)8-9-16(15)17/h8-10,14,18H,4-7,11-12H2,1-3H3
InChIKeyCNXLWJRZZIMENQ-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.44
Rot. Bonds8

About 2-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]hexan-1-amine

2-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]hexan-1-amine (PubChem CID 114053767) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]hexan-1-amine
PubChem CID114053767
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name2-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]hexan-1-amine
SMILESCCCCC(CC)CNCc1cc(C)ccc1F
InChIInChI=1S/C16H26FN/c1-4-6-7-14(5-2)11-18-12-15-10-13(3)8-9-16(15)17/h8-10,14,18H,4-7,11-12H2,1-3H3
InChIKeyCNXLWJRZZIMENQ-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluoro-5-methylphenyl)methyl]pentan-1-amine
CID 115632172
2-ethyl-N-[(2-ethylphenyl)methyl]hexan-1-amine
CID 63420299
N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 61033992
N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 61033867
N-[(2,3-dimethylphenyl)methyl]-2-ethylhexan-1-amine
CID 55027033
2-ethyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]hexan-1-amine
CID 4213258
N-[[2-(2-ethylhexoxy)-5-methylphenyl]methyl]ethanamine
CID 63485344
(2R)-N-benzyl-2-ethylhexan-1-amine
CID 11651454
2-(2-chloroethyl)-N-[(2,5-difluorophenyl)methyl]pentan-1-amine
CID 114145599
3-[[(2,5-dimethylphenyl)methylamino]methyl]hexan-1-ol
CID 103707961
3-[(2-fluoro-5-methylphenyl)methylamino]propan-1-ol
CID 115632162
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-ethylhexan-1-amine
CID 79578441

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]hexan-1-amine (CID 114053767) is 2-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]hexan-1-amine is CCCCC(CC)CNCc1cc(C)ccc1F.
What is the InChIKey of 2-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]hexan-1-amine?
The InChIKey is CNXLWJRZZIMENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN/c1-4-6-7-14(5-2)11-18-12-15-10-13(3)8-9-16(15)17/h8-10,14,18H,4-7,11-12H2,1-3H3.
What are the key properties of 2-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]hexan-1-amine?
2-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]hexan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]hexan-1-amine is sourced from PubChem (CID 114053767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).