1-(4-chloro-2-fluorophenyl)-3-ethylheptan-2-amine

C15H23ClFN — CID 105055202

IUPAC1-(4-chloro-2-fluorophenyl)-3-ethylheptan-2-amine
SMILESCCCCC(CC)C(N)Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H23ClFN/c1-3-5-6-11(4-2)15(18)9-12-7-8-13(16)10-14(12)17/h7-8,10-11,15H,3-6,9,18H2,1-2H3
InChIKeyJLUCSWONLQJXCY-UHFFFAOYSA-N
MW271.81 g/mol
LogP4.57
Rot. Bonds7

About 1-(4-chloro-2-fluorophenyl)-3-ethylheptan-2-amine

1-(4-chloro-2-fluorophenyl)-3-ethylheptan-2-amine (PubChem CID 105055202) has the molecular formula C15H23ClFN and a molecular weight of 271.81 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-ethylheptan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-ethylheptan-2-amine
PubChem CID105055202
Molecular FormulaC15H23ClFN
Molecular Weight271.81 g/mol
Exact Mass271.15
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-ethylheptan-2-amine
SMILESCCCCC(CC)C(N)Cc1ccc(Cl)cc1F
InChIInChI=1S/C15H23ClFN/c1-3-5-6-11(4-2)15(18)9-12-7-8-13(16)10-14(12)17/h7-8,10-11,15H,3-6,9,18H2,1-2H3
InChIKeyJLUCSWONLQJXCY-UHFFFAOYSA-N
XLogP4.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(4-chloro-2-fluorophenyl)-3-ethylheptan-2-yl]hydrazine
CID 105342705
1-(4-chloro-2-fluorophenyl)butan-2-ol
CID 114852176
(1R)-1-(4-chloro-2,6-difluorophenyl)pentan-1-amine;hydrochloride
CID 171210929
1-(4-chloro-2-fluorophenyl)-N-ethylnonan-2-amine
CID 105055551
1-(4-bromo-2-fluorophenyl)-3-ethylheptan-2-ol
CID 115788477
(1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine
CID 171202085
1-(2,5-dichlorophenyl)-3-ethylheptan-2-ol
CID 115801993
1-(4-chloro-2-fluorophenyl)-3-propoxypropan-2-amine
CID 114855448
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 114855662
2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine
CID 105055258
6-(4-chloro-2-fluorophenyl)-N-methylhexan-3-amine
CID 114860039
tributyl-[(2,4-dichlorophenyl)methyl]phosphanium
CID 8287

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-ethylheptan-2-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-ethylheptan-2-amine (CID 105055202) is 1-(4-chloro-2-fluorophenyl)-3-ethylheptan-2-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-ethylheptan-2-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-ethylheptan-2-amine is CCCCC(CC)C(N)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-ethylheptan-2-amine?
The InChIKey is JLUCSWONLQJXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN/c1-3-5-6-11(4-2)15(18)9-12-7-8-13(16)10-14(12)17/h7-8,10-11,15H,3-6,9,18H2,1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-ethylheptan-2-amine?
1-(4-chloro-2-fluorophenyl)-3-ethylheptan-2-amine has a molecular weight of 271.81 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-ethylheptan-2-amine is sourced from PubChem (CID 105055202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).