N-[(2-chlorophenyl)methyl]-2-[2-methoxy-4-(1,3-oxazol-2-yl)phenyl]ethanamine

C19H19ClN2O2 — CID 168972875

IUPACN-[(2-chlorophenyl)methyl]-2-[2-methoxy-4-(1,3-oxazol-2-yl)phenyl]ethanamine
SMILESCOc1cc(-c2ncco2)ccc1CCNCc1ccccc1Cl
InChIInChI=1S/C19H19ClN2O2/c1-23-18-12-15(19-22-10-11-24-19)7-6-14(18)8-9-21-13-16-4-2-3-5-17(16)20/h2-7,10-12,21H,8-9,13H2,1H3
InChIKeyROXBHQUGDQSOKY-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.34
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-[2-methoxy-4-(1,3-oxazol-2-yl)phenyl]ethanamine

N-[(2-chlorophenyl)methyl]-2-[2-methoxy-4-(1,3-oxazol-2-yl)phenyl]ethanamine (PubChem CID 168972875) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[2-methoxy-4-(1,3-oxazol-2-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[2-methoxy-4-(1,3-oxazol-2-yl)phenyl]ethanamine
PubChem CID168972875
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[2-methoxy-4-(1,3-oxazol-2-yl)phenyl]ethanamine
SMILESCOc1cc(-c2ncco2)ccc1CCNCc1ccccc1Cl
InChIInChI=1S/C19H19ClN2O2/c1-23-18-12-15(19-22-10-11-24-19)7-6-14(18)8-9-21-13-16-4-2-3-5-17(16)20/h2-7,10-12,21H,8-9,13H2,1H3
InChIKeyROXBHQUGDQSOKY-UHFFFAOYSA-N
XLogP4.34
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.34
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

2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 2162369
2-(2-chlorophenyl)-N-[[5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273090
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207299
2-(4-chloro-2,5-dimethoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 46856354
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 4719073
2-(2-chlorophenyl)-N-[[5-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53273060
2-methoxy-4-(1,3-oxazol-2-yl)aniline
CID 82468773
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 66534294
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine;hydrochloride
CID 17293463
N-[(2-chloro-4-ethoxy-5-methoxyphenyl)methyl]-2-(2-methoxyphenyl)ethanamine
CID 66530888
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 17207432
N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-methoxyphenyl)ethanamine
CID 110652277

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-methoxy-4-(1,3-oxazol-2-yl)phenyl]ethanamine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-methoxy-4-(1,3-oxazol-2-yl)phenyl]ethanamine (CID 168972875) is N-[(2-chlorophenyl)methyl]-2-[2-methoxy-4-(1,3-oxazol-2-yl)phenyl]ethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[2-methoxy-4-(1,3-oxazol-2-yl)phenyl]ethanamine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[2-methoxy-4-(1,3-oxazol-2-yl)phenyl]ethanamine is COc1cc(-c2ncco2)ccc1CCNCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[2-methoxy-4-(1,3-oxazol-2-yl)phenyl]ethanamine?
The InChIKey is ROXBHQUGDQSOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-23-18-12-15(19-22-10-11-24-19)7-6-14(18)8-9-21-13-16-4-2-3-5-17(16)20/h2-7,10-12,21H,8-9,13H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[2-methoxy-4-(1,3-oxazol-2-yl)phenyl]ethanamine?
N-[(2-chlorophenyl)methyl]-2-[2-methoxy-4-(1,3-oxazol-2-yl)phenyl]ethanamine has a molecular weight of 342.83 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[2-methoxy-4-(1,3-oxazol-2-yl)phenyl]ethanamine is sourced from PubChem (CID 168972875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).