3-(2-chlorophenyl)propyl-[(1R)-1-(3-methoxyphenyl)ethyl]azanium chloride

C18H23Cl2NO — CID 11078321

IUPAC3-(2-chlorophenyl)propyl-[(1R)-1-(3-methoxyphenyl)ethyl]azanium chloride
SMILESCOc1cccc([C@@H](C)[NH2+]CCCc2ccccc2Cl)c1.[Cl-]
InChIInChI=1S/C18H22ClNO.ClH/c1-14(16-8-5-10-17(13-16)21-2)20-12-6-9-15-7-3-4-11-18(15)19;/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3;1H/t14-;/m1./s1
InChIKeyYJXUXANREVNZLH-PFEQFJNWSA-N
MW340.29 g/mol
LogP0.61
Rot. Bonds7

About 3-(2-chlorophenyl)propyl-[(1R)-1-(3-methoxyphenyl)ethyl]azanium chloride

3-(2-chlorophenyl)propyl-[(1R)-1-(3-methoxyphenyl)ethyl]azanium chloride (PubChem CID 11078321) has the molecular formula C18H23Cl2NO and a molecular weight of 340.29 g/mol. Its IUPAC name is 3-(2-chlorophenyl)propyl-[(1R)-1-(3-methoxyphenyl)ethyl]azanium chloride.

Molecular Properties

Compound Name3-(2-chlorophenyl)propyl-[(1R)-1-(3-methoxyphenyl)ethyl]azanium chloride
PubChem CID11078321
Molecular FormulaC18H23Cl2NO
Molecular Weight340.29 g/mol
Exact Mass339.12
IUPAC Name3-(2-chlorophenyl)propyl-[(1R)-1-(3-methoxyphenyl)ethyl]azanium chloride
SMILESCOc1cccc([C@@H](C)[NH2+]CCCc2ccccc2Cl)c1.[Cl-]
InChIInChI=1S/C18H22ClNO.ClH/c1-14(16-8-5-10-17(13-16)21-2)20-12-6-9-15-7-3-4-11-18(15)19;/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3;1H/t14-;/m1./s1
InChIKeyYJXUXANREVNZLH-PFEQFJNWSA-N
XLogP0.61
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-(2-chlorophenyl)-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 175732345
3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
CID 110629514
N-[2-(2,4-dichlorophenyl)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 43099502
(1R)-N-[(2-bromophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376650
2-(2,5-dichlorophenyl)-1-(3-methoxyphenyl)ethanamine
CID 65321564
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
1-[3-(2-chlorophenyl)propyl]-3-(3-methoxyphenyl)thiourea
CID 100671376
1-[1-chloro-2-(2-chlorophenyl)ethyl]-3,5-dimethoxybenzene
CID 63519326
2-(2-bromophenyl)-1-(3-methoxyphenyl)ethanamine
CID 55026907
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146658

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)propyl-[(1R)-1-(3-methoxyphenyl)ethyl]azanium chloride?
The IUPAC name of 3-(2-chlorophenyl)propyl-[(1R)-1-(3-methoxyphenyl)ethyl]azanium chloride (CID 11078321) is 3-(2-chlorophenyl)propyl-[(1R)-1-(3-methoxyphenyl)ethyl]azanium chloride.
What is the SMILES notation for 3-(2-chlorophenyl)propyl-[(1R)-1-(3-methoxyphenyl)ethyl]azanium chloride?
The canonical SMILES for 3-(2-chlorophenyl)propyl-[(1R)-1-(3-methoxyphenyl)ethyl]azanium chloride is COc1cccc([C@@H](C)[NH2+]CCCc2ccccc2Cl)c1.[Cl-].
What is the InChIKey of 3-(2-chlorophenyl)propyl-[(1R)-1-(3-methoxyphenyl)ethyl]azanium chloride?
The InChIKey is YJXUXANREVNZLH-PFEQFJNWSA-N. The full InChI is InChI=1S/C18H22ClNO.ClH/c1-14(16-8-5-10-17(13-16)21-2)20-12-6-9-15-7-3-4-11-18(15)19;/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3;1H/t14-;/m1./s1.
What are the key properties of 3-(2-chlorophenyl)propyl-[(1R)-1-(3-methoxyphenyl)ethyl]azanium chloride?
3-(2-chlorophenyl)propyl-[(1R)-1-(3-methoxyphenyl)ethyl]azanium chloride has a molecular weight of 340.29 g/mol, XLogP of 0.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)propyl-[(1R)-1-(3-methoxyphenyl)ethyl]azanium chloride is sourced from PubChem (CID 11078321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).