2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine

C16H18ClNO2 — CID 105115241

IUPAC2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine
SMILESCOc1ccc(C(N)COc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C16H18ClNO2/c1-11-9-14(19-2)7-8-15(11)16(18)10-20-13-5-3-12(17)4-6-13/h3-9,16H,10,18H2,1-2H3
InChIKeyPFTXNKMKCNSMMH-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.74
Rot. Bonds5

About 2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine

2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine (PubChem CID 105115241) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine
PubChem CID105115241
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine
SMILESCOc1ccc(C(N)COc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C16H18ClNO2/c1-11-9-14(19-2)7-8-15(11)16(18)10-20-13-5-3-12(17)4-6-13/h3-9,16H,10,18H2,1-2H3
InChIKeyPFTXNKMKCNSMMH-UHFFFAOYSA-N
XLogP3.74
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 105142711
2-(4-chlorophenoxy)-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107515309
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093283
1-(4-methoxy-2-methylphenyl)hexan-1-amine
CID 43125402
(3S)-3-amino-3-(4-methoxy-2-methylphenyl)propanenitrile
CID 131124943
(1S)-1-(4-methoxy-2-methylphenyl)pentan-1-amine;hydrochloride
CID 171233420
1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine
CID 43097526
2-(4-chlorophenoxy)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107130057
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 82027704

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine?
The IUPAC name of 2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine (CID 105115241) is 2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine is COc1ccc(C(N)COc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine?
The InChIKey is PFTXNKMKCNSMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-11-9-14(19-2)7-8-15(11)16(18)10-20-13-5-3-12(17)4-6-13/h3-9,16H,10,18H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine?
2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine has a molecular weight of 291.78 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine is sourced from PubChem (CID 105115241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).