N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride

C23H26ClNO — CID 17055075

IUPACN-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride
SMILESCc1ccc(COc2cccc(CNCCc3ccccc3)c2)cc1.Cl
InChIInChI=1S/C23H25NO.ClH/c1-19-10-12-21(13-11-19)18-25-23-9-5-8-22(16-23)17-24-15-14-20-6-3-2-4-7-20;/h2-13,16,24H,14-15,17-18H2,1H3;1H
InChIKeyDMVUDCOXCBCRLS-UHFFFAOYSA-N
MW367.92 g/mol
LogP5.33
Rot. Bonds8

About N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride

N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride (PubChem CID 17055075) has the molecular formula C23H26ClNO and a molecular weight of 367.92 g/mol. Its IUPAC name is N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride
PubChem CID17055075
Molecular FormulaC23H26ClNO
Molecular Weight367.92 g/mol
Exact Mass367.17
IUPAC NameN-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride
SMILESCc1ccc(COc2cccc(CNCCc3ccccc3)c2)cc1.Cl
InChIInChI=1S/C23H25NO.ClH/c1-19-10-12-21(13-11-19)18-25-23-9-5-8-22(16-23)17-24-15-14-20-6-3-2-4-7-20;/h2-13,16,24H,14-15,17-18H2,1H3;1H
InChIKeyDMVUDCOXCBCRLS-UHFFFAOYSA-N
XLogP5.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.92
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17208702
2-(4-fluorophenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine;hydrochloride
CID 17292837
2-(3,4-dimethoxyphenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17055084
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 177381530
N',N'-dimethyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine
CID 17055135
2-(2,4-dichlorophenyl)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 17209881
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine
CID 4719341
2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]-1-phenylethanol;hydrochloride
CID 17055126
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
3-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 17055087
N-methyl-N'-[(3-phenylmethoxyphenyl)methyl]propane-1,3-diamine;dihydrochloride
CID 17295026
N-[(3-phenylmethoxyphenyl)methyl]butan-1-amine
CID 4722064

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride?
The IUPAC name of N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride (CID 17055075) is N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride.
What is the SMILES notation for N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride?
The canonical SMILES for N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride is Cc1ccc(COc2cccc(CNCCc3ccccc3)c2)cc1.Cl.
What is the InChIKey of N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride?
The InChIKey is DMVUDCOXCBCRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO.ClH/c1-19-10-12-21(13-11-19)18-25-23-9-5-8-22(16-23)17-24-15-14-20-6-3-2-4-7-20;/h2-13,16,24H,14-15,17-18H2,1H3;1H.
What are the key properties of N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride?
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride is sourced from PubChem (CID 17055075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).