1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine

C16H26ClN — CID 106866972

IUPAC1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine
SMILESCCCC(C)C(Cc1ccc(C)cc1Cl)NCC
InChIInChI=1S/C16H26ClN/c1-5-7-13(4)16(18-6-2)11-14-9-8-12(3)10-15(14)17/h8-10,13,16,18H,5-7,11H2,1-4H3
InChIKeyKGXDWSAUSHWZRO-UHFFFAOYSA-N
MW267.84 g/mol
LogP4.61
Rot. Bonds7

About 1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine

1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine (PubChem CID 106866972) has the molecular formula C16H26ClN and a molecular weight of 267.84 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine
PubChem CID106866972
Molecular FormulaC16H26ClN
Molecular Weight267.84 g/mol
Exact Mass267.18
IUPAC Name1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine
SMILESCCCC(C)C(Cc1ccc(C)cc1Cl)NCC
InChIInChI=1S/C16H26ClN/c1-5-7-13(4)16(18-6-2)11-14-9-8-12(3)10-15(14)17/h8-10,13,16,18H,5-7,11H2,1-4H3
InChIKeyKGXDWSAUSHWZRO-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.84
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 106868795
1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylsulfonylbutan-2-amine
CID 106866902
1-(2,4-dichlorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 55228646
[1-(4-bromo-2-chlorophenyl)-3-methylhexan-2-yl]hydrazine
CID 105335234
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine
CID 106868796
1-(2-chloro-4-methylphenyl)-N-ethyl-3-(4-methylphenyl)propan-2-amine
CID 106867468
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 106868842
1-(2-chloro-4-methylphenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 106868205
1-(4-bromo-2-chlorophenyl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718017
1-(2,5-dimethylphenyl)-N-ethyl-3-propylhexan-2-amine
CID 82987222
1-(4-bromophenyl)-2-(2-chloro-4-methylphenyl)-N-ethylethanamine
CID 106867838
3-[(2-chloro-4-methylphenyl)methyl]-4-methyl-N-propylpentan-2-amine
CID 106865003

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine (CID 106866972) is 1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine is CCCC(C)C(Cc1ccc(C)cc1Cl)NCC.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine?
The InChIKey is KGXDWSAUSHWZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN/c1-5-7-13(4)16(18-6-2)11-14-9-8-12(3)10-15(14)17/h8-10,13,16,18H,5-7,11H2,1-4H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine?
1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine has a molecular weight of 267.84 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylhexan-2-amine is sourced from PubChem (CID 106866972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).