1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine

C16H18ClNO — CID 114855010

IUPAC1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine
SMILESCCc1cccc(Oc2cc(Cl)ccc2CNC)c1
InChIInChI=1S/C16H18ClNO/c1-3-12-5-4-6-15(9-12)19-16-10-14(17)8-7-13(16)11-18-2/h4-10,18H,3,11H2,1-2H3
InChIKeyTUMUHOBMZUSNTR-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.41
Rot. Bonds5

About 1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine

1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine (PubChem CID 114855010) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine
PubChem CID114855010
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine
SMILESCCc1cccc(Oc2cc(Cl)ccc2CNC)c1
InChIInChI=1S/C16H18ClNO/c1-3-12-5-4-6-15(9-12)19-16-10-14(17)8-7-13(16)11-18-2/h4-10,18H,3,11H2,1-2H3
InChIKeyTUMUHOBMZUSNTR-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114855627
1-[4-chloro-2-(3-methylsulfonylphenoxy)phenyl]-N-methylmethanamine
CID 114856483
1-[4-chloro-2-(4-ethyl-2-methoxyphenoxy)phenyl]-N-methylmethanamine
CID 107666852
1-[5-chloro-2-[3-(methoxymethyl)phenoxy]phenyl]-N-methylmethanamine
CID 114857389
1-[4-chloro-2-(3,4-dimethylphenoxy)phenyl]-N-methylmethanamine
CID 44562943
1-[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]-N-methylmethanamine
CID 44562614
[4-[5-chloro-2-(methylaminomethyl)phenoxy]phenyl]methanol
CID 114856813
N-[[5-chloro-2-(3-ethylphenoxy)phenyl]methyl]cyclopropanamine
CID 114855013
1-[4-chloro-2-(4-propoxyphenoxy)phenyl]-N-methylmethanamine
CID 114856068
1-[5-chloro-2-(4-ethylphenoxy)phenyl]-N-methylmethanamine
CID 114855442
1-[5-chloro-2-(3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114855634
1-[2-(3-tert-butylphenoxy)-5-chlorophenyl]-N-methylmethanamine
CID 114856226

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine (CID 114855010) is 1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine is CCc1cccc(Oc2cc(Cl)ccc2CNC)c1.
What is the InChIKey of 1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine?
The InChIKey is TUMUHOBMZUSNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-3-12-5-4-6-15(9-12)19-16-10-14(17)8-7-13(16)11-18-2/h4-10,18H,3,11H2,1-2H3.
What are the key properties of 1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine?
1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine has a molecular weight of 275.78 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(3-ethylphenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 114855010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).