2-[2-(2-chlorophenyl)-4-methylphenoxy]-N-methylethanamine

C16H18ClNO — CID 56704461

IUPAC2-[2-(2-chlorophenyl)-4-methylphenoxy]-N-methylethanamine
SMILESCNCCOc1ccc(C)cc1-c1ccccc1Cl
InChIInChI=1S/C16H18ClNO/c1-12-7-8-16(19-10-9-18-2)14(11-12)13-5-3-4-6-15(13)17/h3-8,11,18H,9-10H2,1-2H3
InChIKeySJRVLPQDGPAGRJ-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.91
Rot. Bonds5

About 2-[2-(2-chlorophenyl)-4-methylphenoxy]-N-methylethanamine

2-[2-(2-chlorophenyl)-4-methylphenoxy]-N-methylethanamine (PubChem CID 56704461) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-4-methylphenoxy]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-4-methylphenoxy]-N-methylethanamine
PubChem CID56704461
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-[2-(2-chlorophenyl)-4-methylphenoxy]-N-methylethanamine
SMILESCNCCOc1ccc(C)cc1-c1ccccc1Cl
InChIInChI=1S/C16H18ClNO/c1-12-7-8-16(19-10-9-18-2)14(11-12)13-5-3-4-6-15(13)17/h3-8,11,18H,9-10H2,1-2H3
InChIKeySJRVLPQDGPAGRJ-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.91
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-methyl-2-[4-methyl-2-(1H-pyrazol-4-yl)phenoxy]ethanamine
CID 56723087
2-[3-(2-chloro-5-methylphenoxy)propoxy]-N-methylethanamine
CID 82353992
5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine
CID 62485519
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
2-(2-chlorophenyl)-4-methyl-1-(5-methylheptan-2-yloxy)benzene
CID 57036150
2-[3-(4-methyl-2-phenylphenoxy)propylamino]ethanol
CID 70495492
N-methyl-2-(2-methylphenoxy)ethanamine;hydrochloride
CID 17178031
N-[2-(2-chlorophenoxy)ethyl]-3,5-dimethylaniline
CID 54796846
N-[2-(2-chloro-4-methylphenoxy)ethyl]-2-methylpropan-2-amine
CID 2261894
N-[3-(2-chloro-5-methylphenoxy)propyl]aniline
CID 62597720
2-(2-chloro-4-methylphenoxy)ethylcarbamic acid
CID 146277340
2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol
CID 2262928

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-4-methylphenoxy]-N-methylethanamine?
The IUPAC name of 2-[2-(2-chlorophenyl)-4-methylphenoxy]-N-methylethanamine (CID 56704461) is 2-[2-(2-chlorophenyl)-4-methylphenoxy]-N-methylethanamine.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-4-methylphenoxy]-N-methylethanamine?
The canonical SMILES for 2-[2-(2-chlorophenyl)-4-methylphenoxy]-N-methylethanamine is CNCCOc1ccc(C)cc1-c1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenyl)-4-methylphenoxy]-N-methylethanamine?
The InChIKey is SJRVLPQDGPAGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-12-7-8-16(19-10-9-18-2)14(11-12)13-5-3-4-6-15(13)17/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 2-[2-(2-chlorophenyl)-4-methylphenoxy]-N-methylethanamine?
2-[2-(2-chlorophenyl)-4-methylphenoxy]-N-methylethanamine has a molecular weight of 275.78 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-4-methylphenoxy]-N-methylethanamine is sourced from PubChem (CID 56704461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).