2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine

C18H30ClNO — CID 63474835

IUPAC2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine
SMILESCCCCCCCCOC(CNCC)c1cccc(Cl)c1
InChIInChI=1S/C18H30ClNO/c1-3-5-6-7-8-9-13-21-18(15-20-4-2)16-11-10-12-17(19)14-16/h10-12,14,18,20H,3-9,13,15H2,1-2H3
InChIKeyVMAQEMYCQLGGDJ-UHFFFAOYSA-N
MW311.90 g/mol
LogP5.37
Rot. Bonds12

About 2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine

2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine (PubChem CID 63474835) has the molecular formula C18H30ClNO and a molecular weight of 311.90 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine
PubChem CID63474835
Molecular FormulaC18H30ClNO
Molecular Weight311.90 g/mol
Exact Mass311.20
IUPAC Name2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine
SMILESCCCCCCCCOC(CNCC)c1cccc(Cl)c1
InChIInChI=1S/C18H30ClNO/c1-3-5-6-7-8-9-13-21-18(15-20-4-2)16-11-10-12-17(19)14-16/h10-12,14,18,20H,3-9,13,15H2,1-2H3
InChIKeyVMAQEMYCQLGGDJ-UHFFFAOYSA-N
XLogP5.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.90
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-bromophenyl)-2-hexoxyethyl]propan-1-amine
CID 63475192
2-[(2-bromophenyl)methoxy]-2-(3-chlorophenyl)-N-ethylethanamine
CID 82806133
1-(3-chlorophenyl)-1-hexoxypropan-2-amine
CID 55019805
N-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine
CID 62109389
N-ethyl-2-(3-methoxyphenyl)-2-propoxyethanamine
CID 55036120
2-hexoxy-N-methyl-2-phenylethanamine
CID 55036294
2-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine
CID 55036389
2-[(3-chlorophenyl)methoxy]-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 65124788
N-ethyl-2-heptoxy-2-(2-methoxyphenyl)ethanamine
CID 62109368
methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-hexoxyethyl]amino]propyl]phenoxy]acetate
CID 54032734
1-[2-bromo-1-(2-butoxyethoxy)ethyl]-3-chlorobenzene
CID 62107441
N-[2-(3-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]propan-1-amine
CID 55036275

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine?
The IUPAC name of 2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine (CID 63474835) is 2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine is CCCCCCCCOC(CNCC)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine?
The InChIKey is VMAQEMYCQLGGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClNO/c1-3-5-6-7-8-9-13-21-18(15-20-4-2)16-11-10-12-17(19)14-16/h10-12,14,18,20H,3-9,13,15H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine?
2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine has a molecular weight of 311.90 g/mol, XLogP of 5.37, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine is sourced from PubChem (CID 63474835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).