1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine

C17H20ClNO2 — CID 43480963

IUPAC1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccccc1C(NC)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H20ClNO2/c1-4-21-15-8-6-5-7-13(15)17(19-2)12-9-10-16(20-3)14(18)11-12/h5-11,17,19H,4H2,1-3H3
InChIKeyPANIADWXHVNUIF-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.06
Rot. Bonds6

About 1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine

1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine (PubChem CID 43480963) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
PubChem CID43480963
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
SMILESCCOc1ccccc1C(NC)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C17H20ClNO2/c1-4-21-15-8-6-5-7-13(15)17(19-2)12-9-10-16(20-3)14(18)11-12/h5-11,17,19H,4H2,1-3H3
InChIKeyPANIADWXHVNUIF-UHFFFAOYSA-N
XLogP4.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487683
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43480974
1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43480952
1-(3-chloro-4-methoxyphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 62649514
1-(5-bromo-2-ethoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43487355
1-(4-bromo-3-methylphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 115853693
1-(2,4-dichlorophenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 61270632
1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 43480965
1-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43480929
[(2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105260791
1-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43480979
4-[(2-methoxyphenyl)-(methylamino)methyl]-N-methylaniline
CID 116952129

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine (CID 43480963) is 1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine is CCOc1ccccc1C(NC)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
The InChIKey is PANIADWXHVNUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-4-21-15-8-6-5-7-13(15)17(19-2)12-9-10-16(20-3)14(18)11-12/h5-11,17,19H,4H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine?
1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine has a molecular weight of 305.81 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 43480963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).