2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine

C16H18ClNO — CID 62671114

IUPAC2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)COc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-11-3-6-13(7-4-11)15(18)10-19-16-8-5-12(2)9-14(16)17/h3-9,15H,10,18H2,1-2H3
InChIKeyJKMDIFKDALJYMU-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.04
Rot. Bonds4

About 2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine

2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine (PubChem CID 62671114) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine
PubChem CID62671114
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(N)COc2ccc(C)cc2Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-11-3-6-13(7-4-11)15(18)10-19-16-8-5-12(2)9-14(16)17/h3-9,15H,10,18H2,1-2H3
InChIKeyJKMDIFKDALJYMU-UHFFFAOYSA-N
XLogP4.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 82027704
2-(2,4-dimethylphenoxy)-1-(4-ethoxyphenyl)ethanamine
CID 43110699
2-(2-methoxyphenoxy)-1-(4-methylphenyl)ethanamine
CID 16783711
2-chloro-1-(2,2-diethoxyethoxy)-4-methylbenzene
CID 63628940
(2R)-1-(2-chloro-4-methylphenoxy)-3-methoxypropan-2-ol
CID 167829442
2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366797
2-(5-methyl-2-propan-2-ylphenoxy)-1-phenylethanamine
CID 43100574
(1S)-1-[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]ethanamine
CID 78938399
1-[2-(bromomethyl)butoxy]-2-chloro-4-methylbenzene
CID 64995229
3-(2-chloro-4-methylphenoxy)-N,2-dimethylpropan-1-amine
CID 62672408
3-(2-chloro-4-methylphenoxy)-2-methylpropanimidamide
CID 115002336
1-(2-chloro-4-methylphenoxy)-1-(4-chlorophenyl)butan-2-amine
CID 63459961

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine (CID 62671114) is 2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine is Cc1ccc(C(N)COc2ccc(C)cc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine?
The InChIKey is JKMDIFKDALJYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-3-6-13(7-4-11)15(18)10-19-16-8-5-12(2)9-14(16)17/h3-9,15H,10,18H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine?
2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine has a molecular weight of 275.78 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenoxy)-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 62671114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).