1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine

C17H20ClNO — CID 43561996

IUPAC1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2ccc(OC)cc2Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-4-12-5-7-13(8-6-12)17(19-2)15-10-9-14(20-3)11-16(15)18/h5-11,17,19H,4H2,1-3H3
InChIKeyJEWDMVDTPILJAE-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.22
Rot. Bonds5

About 1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine

1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine (PubChem CID 43561996) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine
PubChem CID43561996
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine
SMILESCCc1ccc(C(NC)c2ccc(OC)cc2Cl)cc1
InChIInChI=1S/C17H20ClNO/c1-4-12-5-7-13(8-6-12)17(19-2)15-10-9-14(20-3)11-16(15)18/h5-11,17,19H,4H2,1-3H3
InChIKeyJEWDMVDTPILJAE-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 105121873
1-(2-chloro-4-methoxyphenyl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 43561947
1-(2-chloro-4-methoxyphenyl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 79215110
1-(3-bromo-4-chlorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 107998666
1-(2-chloro-4-methoxyphenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 43561906
1-(2-chloro-4-methoxyphenyl)-1-(2,5-dichlorophenyl)-N-methylmethanamine
CID 43561902
1-(2-bromo-4-methoxyphenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 60786122
1-(2-chloro-4-methoxyphenyl)-N-methylbutan-1-amine
CID 43561904
1-(3-chloro-4-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 63194536
1-(2-bromophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43561945
1-(2-chloro-4-methoxyphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 62504560
N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 43562132

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine (CID 43561996) is 1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine is CCc1ccc(C(NC)c2ccc(OC)cc2Cl)cc1.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine?
The InChIKey is JEWDMVDTPILJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-4-12-5-7-13(8-6-12)17(19-2)15-10-9-14(20-3)11-16(15)18/h5-11,17,19H,4H2,1-3H3.
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine?
1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine has a molecular weight of 289.81 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)-1-(4-ethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43561996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).