N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine

C19H23Cl2NO2 — CID 29225362

IUPACN-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
SMILESCCCOc1c(Cl)cc(Cl)cc1CNCCc1ccccc1OC
InChIInChI=1S/C19H23Cl2NO2/c1-3-10-24-19-15(11-16(20)12-17(19)21)13-22-9-8-14-6-4-5-7-18(14)23-2/h4-7,11-12,22H,3,8-10,13H2,1-2H3
InChIKeyNHPNGQXIGDJMHN-UHFFFAOYSA-N
MW368.30 g/mol
LogP5.12
Rot. Bonds9

About N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine

N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine (PubChem CID 29225362) has the molecular formula C19H23Cl2NO2 and a molecular weight of 368.30 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
PubChem CID29225362
Molecular FormulaC19H23Cl2NO2
Molecular Weight368.30 g/mol
Exact Mass367.11
IUPAC NameN-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
SMILESCCCOc1c(Cl)cc(Cl)cc1CNCCc1ccccc1OC
InChIInChI=1S/C19H23Cl2NO2/c1-3-10-24-19-15(11-16(20)12-17(19)21)13-22-9-8-14-6-4-5-7-18(14)23-2/h4-7,11-12,22H,3,8-10,13H2,1-2H3
InChIKeyNHPNGQXIGDJMHN-UHFFFAOYSA-N
XLogP5.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.30
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 29225270
2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 2162369
N-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 66530888
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207299
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 29241701
N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449939
N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 66533900
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
CID 43515784
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 17207350
N-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-2-phenylethanamine
CID 29226114
2-(4-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 46856354
N-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 17207288

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine?
The IUPAC name of N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine (CID 29225362) is N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine is CCCOc1c(Cl)cc(Cl)cc1CNCCc1ccccc1OC.
What is the InChIKey of N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine?
The InChIKey is NHPNGQXIGDJMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2NO2/c1-3-10-24-19-15(11-16(20)12-17(19)21)13-22-9-8-14-6-4-5-7-18(14)23-2/h4-7,11-12,22H,3,8-10,13H2,1-2H3.
What are the key properties of N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine?
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine has a molecular weight of 368.30 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichloro-2-propoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 29225362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).