2-(4-chlorophenyl)-4-ethyl-N-methyloctan-1-amine

C17H28ClN — CID 79441273

IUPAC2-(4-chlorophenyl)-4-ethyl-N-methyloctan-1-amine
SMILESCCCCC(CC)CC(CNC)c1ccc(Cl)cc1
InChIInChI=1S/C17H28ClN/c1-4-6-7-14(5-2)12-16(13-19-3)15-8-10-17(18)11-9-15/h8-11,14,16,19H,4-7,12-13H2,1-3H3
InChIKeyZTQGOBOOBOVTSA-UHFFFAOYSA-N
MW281.87 g/mol
LogP5.25
Rot. Bonds9

About 2-(4-chlorophenyl)-4-ethyl-N-methyloctan-1-amine

2-(4-chlorophenyl)-4-ethyl-N-methyloctan-1-amine (PubChem CID 79441273) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-ethyl-N-methyloctan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-ethyl-N-methyloctan-1-amine
PubChem CID79441273
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC Name2-(4-chlorophenyl)-4-ethyl-N-methyloctan-1-amine
SMILESCCCCC(CC)CC(CNC)c1ccc(Cl)cc1
InChIInChI=1S/C17H28ClN/c1-4-6-7-14(5-2)12-16(13-19-3)15-8-10-17(18)11-9-15/h8-11,14,16,19H,4-7,12-13H2,1-3H3
InChIKeyZTQGOBOOBOVTSA-UHFFFAOYSA-N
XLogP5.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.87
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chlorophenyl)-4-ethyl-N-methyloctan-1-amine
CID 79443182
1-(4-chlorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 55186033
2-(4-chlorophenyl)-N,4-diethylhexan-1-amine
CID 82930759
N,4-diethyl-2-(4-methylphenyl)octan-1-amine
CID 79435832
N-[4-ethyl-2-(4-methylphenyl)octyl]cyclopropanamine
CID 79430983
2-(4-chlorophenyl)-N,5-dimethylhexan-1-amine
CID 79441719
2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine
CID 63522273
2-(4-fluorophenyl)-N-methylhexan-1-amine
CID 79442456
1-(4-chlorophenyl)-N-methylpentan-1-amine
CID 11708302
1-(1-bromo-4-ethylhexan-2-yl)-4-chlorobenzene
CID 82934984
2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 79441568
2-(4-chlorophenyl)-N-propyloctan-1-amine
CID 79437453

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-ethyl-N-methyloctan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-4-ethyl-N-methyloctan-1-amine (CID 79441273) is 2-(4-chlorophenyl)-4-ethyl-N-methyloctan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-ethyl-N-methyloctan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-4-ethyl-N-methyloctan-1-amine is CCCCC(CC)CC(CNC)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-ethyl-N-methyloctan-1-amine?
The InChIKey is ZTQGOBOOBOVTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-4-6-7-14(5-2)12-16(13-19-3)15-8-10-17(18)11-9-15/h8-11,14,16,19H,4-7,12-13H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-4-ethyl-N-methyloctan-1-amine?
2-(4-chlorophenyl)-4-ethyl-N-methyloctan-1-amine has a molecular weight of 281.87 g/mol, XLogP of 5.25, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-ethyl-N-methyloctan-1-amine is sourced from PubChem (CID 79441273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).