1-(5-fluoro-2-methylphenyl)-4,6,6-trimethylheptan-2-amine

C17H28FN — CID 105377488

IUPAC1-(5-fluoro-2-methylphenyl)-4,6,6-trimethylheptan-2-amine
SMILESCc1ccc(F)cc1CC(N)CC(C)CC(C)(C)C
InChIInChI=1S/C17H28FN/c1-12(11-17(3,4)5)8-16(19)10-14-9-15(18)7-6-13(14)2/h6-7,9,12,16H,8,10-11,19H2,1-5H3
InChIKeyJYWQJKXFMQRGIX-UHFFFAOYSA-N
MW265.42 g/mol
LogP4.47
Rot. Bonds5

About 1-(5-fluoro-2-methylphenyl)-4,6,6-trimethylheptan-2-amine

1-(5-fluoro-2-methylphenyl)-4,6,6-trimethylheptan-2-amine (PubChem CID 105377488) has the molecular formula C17H28FN and a molecular weight of 265.42 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-4,6,6-trimethylheptan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-4,6,6-trimethylheptan-2-amine
PubChem CID105377488
Molecular FormulaC17H28FN
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name1-(5-fluoro-2-methylphenyl)-4,6,6-trimethylheptan-2-amine
SMILESCc1ccc(F)cc1CC(N)CC(C)CC(C)(C)C
InChIInChI=1S/C17H28FN/c1-12(11-17(3,4)5)8-16(19)10-14-9-15(18)7-6-13(14)2/h6-7,9,12,16H,8,10-11,19H2,1-5H3
InChIKeyJYWQJKXFMQRGIX-UHFFFAOYSA-N
XLogP4.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylphenyl)-4,6,6-trimethylheptan-2-amine
CID 115816480
[1-(5-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-yl]hydrazine
CID 105377796
1-(5-fluoro-2-methylphenyl)-3,3-dimethylbutan-2-amine
CID 105373655
1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine
CID 105051172
4-(5-fluoro-2-methylphenyl)-3-methylbutan-2-amine
CID 105372310
1-(3,4-dimethylphenyl)-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105373859
1-(2,6-difluorophenyl)-4,6,6-trimethylheptan-2-amine
CID 105055601
1-(5-fluoro-2-methylphenyl)nonan-2-amine
CID 105377125
1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749
1-(5-fluoro-2-methylphenyl)undecan-2-amine
CID 105377088
1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105376976
1-(2-chloro-5-fluorophenyl)-3,5,5-trimethylhexan-1-amine
CID 105397495

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-4,6,6-trimethylheptan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-4,6,6-trimethylheptan-2-amine (CID 105377488) is 1-(5-fluoro-2-methylphenyl)-4,6,6-trimethylheptan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-4,6,6-trimethylheptan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-4,6,6-trimethylheptan-2-amine is Cc1ccc(F)cc1CC(N)CC(C)CC(C)(C)C.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-4,6,6-trimethylheptan-2-amine?
The InChIKey is JYWQJKXFMQRGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN/c1-12(11-17(3,4)5)8-16(19)10-14-9-15(18)7-6-13(14)2/h6-7,9,12,16H,8,10-11,19H2,1-5H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-4,6,6-trimethylheptan-2-amine?
1-(5-fluoro-2-methylphenyl)-4,6,6-trimethylheptan-2-amine has a molecular weight of 265.42 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-4,6,6-trimethylheptan-2-amine is sourced from PubChem (CID 105377488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).