1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine

C13H20ClN — CID 114982245

IUPAC1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1cccc(C)c1Cl
InChIInChI=1S/C13H20ClN/c1-4-7-12(15-5-2)11-9-6-8-10(3)13(11)14/h6,8-9,12,15H,4-5,7H2,1-3H3
InChIKeyGNMFZYZKVNHTRU-UHFFFAOYSA-N
MW225.76 g/mol
LogP4.10
Rot. Bonds5

About 1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine

1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine (PubChem CID 114982245) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine
PubChem CID114982245
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1cccc(C)c1Cl
InChIInChI=1S/C13H20ClN/c1-4-7-12(15-5-2)11-9-6-8-10(3)13(11)14/h6,8-9,12,15H,4-5,7H2,1-3H3
InChIKeyGNMFZYZKVNHTRU-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-3-methylphenyl)-N-ethylpentan-1-amine
CID 115832857
1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine
CID 114982147
1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364
1-(2-chloro-3-methylphenyl)-N-ethylpent-4-en-1-amine
CID 104987508
1-(2-chloro-3-methylphenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 115865374
1-(3-chloro-2-methylphenyl)-N-ethylbutan-1-amine
CID 107101962
1-(2-chloro-3-methylphenyl)-3-phenyl-N-propylpropan-1-amine
CID 115794374
2-(5-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)-N-ethylethanamine
CID 115841070
1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine
CID 115833577
1-(2-chloro-3-methylphenyl)hexylhydrazine
CID 105294703
1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine
CID 104987124
1-(2,3-dimethylphenyl)-N-ethylhexan-1-amine
CID 115837078

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine (CID 114982245) is 1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine is CCCC(NCC)c1cccc(C)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine?
The InChIKey is GNMFZYZKVNHTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN/c1-4-7-12(15-5-2)11-9-6-8-10(3)13(11)14/h6,8-9,12,15H,4-5,7H2,1-3H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine?
1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine has a molecular weight of 225.76 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylphenyl)-N-ethylbutan-1-amine is sourced from PubChem (CID 114982245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).