2-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine

C18H22ClNO3 — CID 2163779

IUPAC2-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(OC)c(OC)cc1CNCCc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO3/c1-21-16-11-18(23-3)17(22-2)10-14(16)12-20-9-8-13-4-6-15(19)7-5-13/h4-7,10-11,20H,8-9,12H2,1-3H3
InChIKeyFHCKUEUEKUMMHS-UHFFFAOYSA-N
MW335.83 g/mol
LogP3.70
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine

2-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine (PubChem CID 2163779) has the molecular formula C18H22ClNO3 and a molecular weight of 335.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
PubChem CID2163779
Molecular FormulaC18H22ClNO3
Molecular Weight335.83 g/mol
Exact Mass335.13
IUPAC Name2-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
SMILESCOc1cc(OC)c(OC)cc1CNCCc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClNO3/c1-21-16-11-18(23-3)17(22-2)10-14(16)12-20-9-8-13-4-6-15(19)7-5-13/h4-7,10-11,20H,8-9,12H2,1-3H3
InChIKeyFHCKUEUEKUMMHS-UHFFFAOYSA-N
XLogP3.70
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-(4-chlorophenyl)ethanamine
CID 66529963
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-phenylethanamine
CID 2200147
2-(4-chlorophenyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]ethanamine
CID 17208570
3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 31948362
N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(4-fluorophenyl)ethanamine
CID 66534407
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]phenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 4716319
N-[[2-bromo-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 66534349
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62315529
2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 17208415
N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(4-fluorophenyl)ethanamine
CID 66529536
N-[(5-chloro-2-methoxyphenyl)methyl]-1-(4-chlorophenyl)methanamine
CID 43410760
N-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 4716351

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine (CID 2163779) is 2-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine is COc1cc(OC)c(OC)cc1CNCCc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine?
The InChIKey is FHCKUEUEKUMMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO3/c1-21-16-11-18(23-3)17(22-2)10-14(16)12-20-9-8-13-4-6-15(19)7-5-13/h4-7,10-11,20H,8-9,12H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine?
2-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine has a molecular weight of 335.83 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 2163779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).