1-(2-chloro-5-fluorophenyl)-3,5,5-trimethylhexan-1-amine

C15H23ClFN — CID 105397495

IUPAC1-(2-chloro-5-fluorophenyl)-3,5,5-trimethylhexan-1-amine
SMILESCC(CC(N)c1cc(F)ccc1Cl)CC(C)(C)C
InChIInChI=1S/C15H23ClFN/c1-10(9-15(2,3)4)7-14(18)12-8-11(17)5-6-13(12)16/h5-6,8,10,14H,7,9,18H2,1-4H3
InChIKeyAGUQKGRCQLSBGM-UHFFFAOYSA-N
MW271.81 g/mol
LogP4.94
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-3,5,5-trimethylhexan-1-amine

1-(2-chloro-5-fluorophenyl)-3,5,5-trimethylhexan-1-amine (PubChem CID 105397495) has the molecular formula C15H23ClFN and a molecular weight of 271.81 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3,5,5-trimethylhexan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3,5,5-trimethylhexan-1-amine
PubChem CID105397495
Molecular FormulaC15H23ClFN
Molecular Weight271.81 g/mol
Exact Mass271.15
IUPAC Name1-(2-chloro-5-fluorophenyl)-3,5,5-trimethylhexan-1-amine
SMILESCC(CC(N)c1cc(F)ccc1Cl)CC(C)(C)C
InChIInChI=1S/C15H23ClFN/c1-10(9-15(2,3)4)7-14(18)12-8-11(17)5-6-13(12)16/h5-6,8,10,14H,7,9,18H2,1-4H3
InChIKeyAGUQKGRCQLSBGM-UHFFFAOYSA-N
XLogP4.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-chloro-5-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171204622
[1-(2-chloro-5-fluorophenyl)-3,3-dimethylbutyl]hydrazine
CID 105397818
(1R)-1-(2-chloro-5-fluorophenyl)-4-methylpentan-1-amine
CID 171204639
1-(2,3-difluoro-4-methylphenyl)-3,5,5-trimethylhexan-1-amine
CID 107516044
4-(2-chloro-5-fluorophenyl)-2-methylpentan-2-amine
CID 83911513
1-(2-chloro-5-fluorophenyl)-2-ethylsulfanylethanamine
CID 105395000
(1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine
CID 130854068
1-(2-chloro-4-fluorophenyl)-3-methylbutan-1-amine
CID 62945198
1-(2-chloro-5-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 105395209
1-(2,4-dimethylphenyl)-3,5,5-trimethylhexan-1-amine
CID 43138783
1-(5-fluoro-2-methoxyphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 43485634
1-(5-fluoro-2-methylphenyl)-4,6,6-trimethylheptan-2-amine
CID 105377488

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3,5,5-trimethylhexan-1-amine?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3,5,5-trimethylhexan-1-amine (CID 105397495) is 1-(2-chloro-5-fluorophenyl)-3,5,5-trimethylhexan-1-amine.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3,5,5-trimethylhexan-1-amine?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3,5,5-trimethylhexan-1-amine is CC(CC(N)c1cc(F)ccc1Cl)CC(C)(C)C.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3,5,5-trimethylhexan-1-amine?
The InChIKey is AGUQKGRCQLSBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN/c1-10(9-15(2,3)4)7-14(18)12-8-11(17)5-6-13(12)16/h5-6,8,10,14H,7,9,18H2,1-4H3.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3,5,5-trimethylhexan-1-amine?
1-(2-chloro-5-fluorophenyl)-3,5,5-trimethylhexan-1-amine has a molecular weight of 271.81 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3,5,5-trimethylhexan-1-amine is sourced from PubChem (CID 105397495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).