1-(3-chlorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine

C17H20ClNO — CID 43482400

IUPAC1-(3-chlorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
SMILESCNC(c1ccc(CCOC)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClNO/c1-19-17(15-4-3-5-16(18)12-15)14-8-6-13(7-9-14)10-11-20-2/h3-9,12,17,19H,10-11H2,1-2H3
InChIKeyPEYUVDBKRPOINB-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.84
Rot. Bonds6

About 1-(3-chlorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine

1-(3-chlorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine (PubChem CID 43482400) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
PubChem CID43482400
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-(3-chlorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
SMILESCNC(c1ccc(CCOC)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H20ClNO/c1-19-17(15-4-3-5-16(18)12-15)14-8-6-13(7-9-14)10-11-20-2/h3-9,12,17,19H,10-11H2,1-2H3
InChIKeyPEYUVDBKRPOINB-UHFFFAOYSA-N
XLogP3.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-5-methylphenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 81315879
1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 43480965
1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 62795601
1-(3-chlorophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 115811779
1-[4-(2-methoxyethyl)phenyl]-1-(2-methoxyphenyl)-N-methylmethanamine
CID 43482394
1-(2,3-difluorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 62649182
1-(2-bromo-3-fluorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 81499776
1-(3-chlorophenyl)-1-(2,6-dimethoxyphenyl)-N-methylmethanamine
CID 116810294
N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine
CID 116543873
(2,4-dichlorophenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 61099046
1-chloro-2-[2-chloro-2-[4-(2-methoxyethyl)phenyl]ethyl]benzene
CID 63429786
1-(3-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 115811785

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-(3-chlorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine (CID 43482400) is 1-(3-chlorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine is CNC(c1ccc(CCOC)cc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine?
The InChIKey is PEYUVDBKRPOINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-19-17(15-4-3-5-16(18)12-15)14-8-6-13(7-9-14)10-11-20-2/h3-9,12,17,19H,10-11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine?
1-(3-chlorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine has a molecular weight of 289.81 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 43482400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).