1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine

C15H23ClFN — CID 103052938

IUPAC1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine
SMILESCCNC(Cc1cc(Cl)ccc1F)CC(C)CC
InChIInChI=1S/C15H23ClFN/c1-4-11(3)8-14(18-5-2)10-12-9-13(16)6-7-15(12)17/h6-7,9,11,14,18H,4-5,8,10H2,1-3H3
InChIKeyHLMBZPBYGRGDMF-UHFFFAOYSA-N
MW271.81 g/mol
LogP4.44
Rot. Bonds7

About 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine

1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine (PubChem CID 103052938) has the molecular formula C15H23ClFN and a molecular weight of 271.81 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine
PubChem CID103052938
Molecular FormulaC15H23ClFN
Molecular Weight271.81 g/mol
Exact Mass271.15
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine
SMILESCCNC(Cc1cc(Cl)ccc1F)CC(C)CC
InChIInChI=1S/C15H23ClFN/c1-4-11(3)8-14(18-5-2)10-12-9-13(16)6-7-15(12)17/h6-7,9,11,14,18H,4-5,8,10H2,1-3H3
InChIKeyHLMBZPBYGRGDMF-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-chloro-2-fluorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 103048614
1-(4-chloro-2-fluorophenyl)-N-ethyl-5-methoxy-4-methylpentan-2-amine
CID 105190411
N-[(5-chloro-2-fluorophenyl)methyl]-4-methylhexan-2-amine
CID 114842422
[1-(2,5-difluorophenyl)-4-methylhexan-2-yl]hydrazine
CID 105288918
1-(5-chloro-2-fluorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 103048515
1-(5-bromo-2-fluorophenyl)-N,4-dimethylhexan-2-amine
CID 115839350
1-(4-chloro-2-fluorophenyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 114855387
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-pyridin-4-ylbutan-2-amine
CID 103053170
N-ethyl-1-(3-fluorophenyl)-4-methylhexan-2-amine
CID 62602319
1-(4-chloro-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)-N-ethylethanamine
CID 103048649
1-(2-bromophenyl)-N-ethyl-4-methylhexan-2-amine
CID 63419614
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 103053051

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine (CID 103052938) is 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine is CCNC(Cc1cc(Cl)ccc1F)CC(C)CC.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine?
The InChIKey is HLMBZPBYGRGDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClFN/c1-4-11(3)8-14(18-5-2)10-12-9-13(16)6-7-15(12)17/h6-7,9,11,14,18H,4-5,8,10H2,1-3H3.
What are the key properties of 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine?
1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine has a molecular weight of 271.81 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)-N-ethyl-4-methylhexan-2-amine is sourced from PubChem (CID 103052938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).