1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylpentan-1-amine

C14H21ClFN — CID 107893373

IUPAC1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)C(NCC)c1cccc(F)c1Cl
InChIInChI=1S/C14H21ClFN/c1-4-7-10(3)14(17-5-2)11-8-6-9-12(16)13(11)15/h6,8-10,14,17H,4-5,7H2,1-3H3
InChIKeyCUXHWNHDNNWPDU-UHFFFAOYSA-N
MW257.78 g/mol
LogP4.57
Rot. Bonds6

About 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylpentan-1-amine

1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylpentan-1-amine (PubChem CID 107893373) has the molecular formula C14H21ClFN and a molecular weight of 257.78 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylpentan-1-amine
PubChem CID107893373
Molecular FormulaC14H21ClFN
Molecular Weight257.78 g/mol
Exact Mass257.13
IUPAC Name1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)C(NCC)c1cccc(F)c1Cl
InChIInChI=1S/C14H21ClFN/c1-4-7-10(3)14(17-5-2)11-8-6-9-12(16)13(11)15/h6,8-10,14,17H,4-5,7H2,1-3H3
InChIKeyCUXHWNHDNNWPDU-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.78
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017361
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-methylpentan-1-amine
CID 114013619
2-chloro-1-fluoro-3-pentan-2-ylbenzene
CID 166688461
1-(2-chlorofuran-3-yl)-N-ethyl-2-methylpentan-1-amine
CID 107893430
1-(2-chloro-3-fluorophenyl)-N,2-dimethylbutan-1-amine
CID 105017259
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017616
N-[(2-chloro-3-fluorophenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859759
N-[(2-chloro-3-fluorophenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115827914
1-(2-bromo-3-fluorophenyl)-N,2-dimethylpentan-1-amine
CID 107893716
1-(5-chloro-2-methoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 104545976
1-(2,4-difluoro-5-methylphenyl)-N-ethyl-2-methylpentan-1-amine
CID 79724625
N-ethyl-2-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-1-amine
CID 115850903

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylpentan-1-amine?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylpentan-1-amine (CID 107893373) is 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylpentan-1-amine.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylpentan-1-amine?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylpentan-1-amine is CCCC(C)C(NCC)c1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylpentan-1-amine?
The InChIKey is CUXHWNHDNNWPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClFN/c1-4-7-10(3)14(17-5-2)11-8-6-9-12(16)13(11)15/h6,8-10,14,17H,4-5,7H2,1-3H3.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylpentan-1-amine?
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylpentan-1-amine has a molecular weight of 257.78 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylpentan-1-amine is sourced from PubChem (CID 107893373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).