1-(5-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine

C17H20ClNO — CID 115853667

IUPAC1-(5-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccccc1C(NC)c1cc(Cl)ccc1C
InChIInChI=1S/C17H20ClNO/c1-4-20-16-8-6-5-7-14(16)17(19-3)15-11-13(18)10-9-12(15)2/h5-11,17,19H,4H2,1-3H3
InChIKeyPZCKPYUQAUGWCT-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.36
Rot. Bonds5

About 1-(5-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine

1-(5-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine (PubChem CID 115853667) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
PubChem CID115853667
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-(5-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccccc1C(NC)c1cc(Cl)ccc1C
InChIInChI=1S/C17H20ClNO/c1-4-20-16-8-6-5-7-14(16)17(19-3)15-11-13(18)10-9-12(15)2/h5-11,17,19H,4H2,1-3H3
InChIKeyPZCKPYUQAUGWCT-UHFFFAOYSA-N
XLogP4.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 61270632
1-(2,6-difluoro-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 82803167
1-(2,5-dimethylphenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105035882
1-(2-ethoxyphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65298862
1-(2-ethoxy-5-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 62302995
1-(2-ethoxyphenyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789858
1-(3-chloro-4-pyridinyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 105145038
1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115853693
1-(2-ethoxyphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 115853566
1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 43480963
1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 115853389
1-(2,5-dichlorophenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43483853

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine (CID 115853667) is 1-(5-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine is CCOc1ccccc1C(NC)c1cc(Cl)ccc1C.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is PZCKPYUQAUGWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-4-20-16-8-6-5-7-14(16)17(19-3)15-11-13(18)10-9-12(15)2/h5-11,17,19H,4H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
1-(5-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 115853667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).