2-(3-chlorophenyl)-4-ethyl-N-methyloctan-1-amine

C17H28ClN — CID 79443182

IUPAC2-(3-chlorophenyl)-4-ethyl-N-methyloctan-1-amine
SMILESCCCCC(CC)CC(CNC)c1cccc(Cl)c1
InChIInChI=1S/C17H28ClN/c1-4-6-8-14(5-2)11-16(13-19-3)15-9-7-10-17(18)12-15/h7,9-10,12,14,16,19H,4-6,8,11,13H2,1-3H3
InChIKeyBPOSTYNMPJGMFN-UHFFFAOYSA-N
MW281.87 g/mol
LogP5.25
Rot. Bonds9

About 2-(3-chlorophenyl)-4-ethyl-N-methyloctan-1-amine

2-(3-chlorophenyl)-4-ethyl-N-methyloctan-1-amine (PubChem CID 79443182) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-ethyl-N-methyloctan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-ethyl-N-methyloctan-1-amine
PubChem CID79443182
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC Name2-(3-chlorophenyl)-4-ethyl-N-methyloctan-1-amine
SMILESCCCCC(CC)CC(CNC)c1cccc(Cl)c1
InChIInChI=1S/C17H28ClN/c1-4-6-8-14(5-2)11-16(13-19-3)15-9-7-10-17(18)12-15/h7,9-10,12,14,16,19H,4-6,8,11,13H2,1-3H3
InChIKeyBPOSTYNMPJGMFN-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-ethyloctan-1-ol
CID 79442705
1-chloro-3-(1-chloro-4-ethyloctan-2-yl)benzene
CID 79431985
2-(4-chlorophenyl)-4-ethyl-N-methyloctan-1-amine
CID 79441273
2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine
CID 63522273
2-(3-chlorophenyl)-4-ethoxy-N-methylbutan-1-amine
CID 79442885
N-[4-ethyl-2-(3-methylphenyl)octyl]cyclopropanamine
CID 79422736
2-[(3-chlorophenyl)methyl]-4-ethyloctan-1-ol
CID 66059498
2-(3-chlorophenyl)-N-(2-methylpropyl)nonan-1-amine
CID 79433186
5-ethyl-3-phenylnonan-1-ol
CID 145204155
2-(3-chlorophenyl)-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 79442808
N,4-diethyl-2-(4-methylphenyl)octan-1-amine
CID 79435832
4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine
CID 79443466

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-ethyl-N-methyloctan-1-amine?
The IUPAC name of 2-(3-chlorophenyl)-4-ethyl-N-methyloctan-1-amine (CID 79443182) is 2-(3-chlorophenyl)-4-ethyl-N-methyloctan-1-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-4-ethyl-N-methyloctan-1-amine?
The canonical SMILES for 2-(3-chlorophenyl)-4-ethyl-N-methyloctan-1-amine is CCCCC(CC)CC(CNC)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-ethyl-N-methyloctan-1-amine?
The InChIKey is BPOSTYNMPJGMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-4-6-8-14(5-2)11-16(13-19-3)15-9-7-10-17(18)12-15/h7,9-10,12,14,16,19H,4-6,8,11,13H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-4-ethyl-N-methyloctan-1-amine?
2-(3-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-(3-chlorophenyl)-4-ethyl-N-methyloctan-1-amine is sourced from PubChem (CID 79443182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).