N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine

C19H25NO — CID 63424666

IUPACN-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(-c2ccc(C)c(C)c2)ccc1OC
InChIInChI=1S/C19H25NO/c1-5-10-20-13-18-12-17(8-9-19(18)21-4)16-7-6-14(2)15(3)11-16/h6-9,11-12,20H,5,10,13H2,1-4H3
InChIKeyZJWWTTSEVVTLKN-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.48
Rot. Bonds6

About N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine

N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine (PubChem CID 63424666) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine
PubChem CID63424666
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(-c2ccc(C)c(C)c2)ccc1OC
InChIInChI=1S/C19H25NO/c1-5-10-20-13-18-12-17(8-9-19(18)21-4)16-7-6-14(2)15(3)11-16/h6-9,11-12,20H,5,10,13H2,1-4H3
InChIKeyZJWWTTSEVVTLKN-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.48
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

N-[[2-methoxy-5-(5-methylthiophen-3-yl)phenyl]methyl]propan-1-amine
CID 65099654
N-[[2-fluoro-5-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 63428466
N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 61033548
N-[[5-(3,4-dimethylphenyl)-2-fluorophenyl]methyl]propan-1-amine
CID 63424801
N-[[5-(2,4-dichlorophenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63428118
N-[[5-(2,3-difluorophenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63989406
N-[[5-chloro-2-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 66158083
N-[[2-methoxy-5-(2-methylphenyl)phenyl]methyl]ethanamine
CID 54912220
N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-1-amine
CID 83044761
6-(3,4-dimethoxyphenyl)-3-(propylaminomethyl)-1H-pyridin-2-one
CID 82517620
N-[[2-fluoro-4-(4-methoxy-3-methylphenyl)phenyl]methyl]ethanamine
CID 61033040
N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115205818

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine (CID 63424666) is N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine is CCCNCc1cc(-c2ccc(C)c(C)c2)ccc1OC.
What is the InChIKey of N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine?
The InChIKey is ZJWWTTSEVVTLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-10-20-13-18-12-17(8-9-19(18)21-4)16-7-6-14(2)15(3)11-16/h6-9,11-12,20H,5,10,13H2,1-4H3.
What are the key properties of N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine?
N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine is sourced from PubChem (CID 63424666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).