1-(3-chlorophenyl)-N-ethoxyethanamine

C10H14ClNO — CID 78968845

IUPAC1-(3-chlorophenyl)-N-ethoxyethanamine
SMILESCCONC(C)c1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-3-13-12-8(2)9-5-4-6-10(11)7-9/h4-8,12H,3H2,1-2H3
InChIKeySJDOKEJFKSAMJL-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.94
Rot. Bonds4

About 1-(3-chlorophenyl)-N-ethoxyethanamine

1-(3-chlorophenyl)-N-ethoxyethanamine (PubChem CID 78968845) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-ethoxyethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-ethoxyethanamine
PubChem CID78968845
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name1-(3-chlorophenyl)-N-ethoxyethanamine
SMILESCCONC(C)c1cccc(Cl)c1
InChIInChI=1S/C10H14ClNO/c1-3-13-12-8(2)9-5-4-6-10(11)7-9/h4-8,12H,3H2,1-2H3
InChIKeySJDOKEJFKSAMJL-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
N-[(1R)-1-(3-chlorophenyl)ethyl]but-2-yn-1-amine
CID 81372663
[1-(3-chlorophenyl)ethylamino]methanethiol
CID 88942824
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
N-[1-(3-chlorophenyl)ethyl]-2-methylpentan-3-amine
CID 43767396
(1S)-1-(3-chlorophenyl)-N-[1-(2-ethoxyphenyl)ethyl]ethanamine
CID 81361944
N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43101592
N-[(1S)-1-(3-chlorophenyl)ethyl]-2,2-dimethoxyethanamine
CID 81366163
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 81366148
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155903

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-ethoxyethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-ethoxyethanamine (CID 78968845) is 1-(3-chlorophenyl)-N-ethoxyethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-ethoxyethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-ethoxyethanamine is CCONC(C)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-ethoxyethanamine?
The InChIKey is SJDOKEJFKSAMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-3-13-12-8(2)9-5-4-6-10(11)7-9/h4-8,12H,3H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N-ethoxyethanamine?
1-(3-chlorophenyl)-N-ethoxyethanamine has a molecular weight of 199.68 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-ethoxyethanamine is sourced from PubChem (CID 78968845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).