N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-1-amine

C19H25NO — CID 83044761

IUPACN-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cc(C)c(OC)c(C)c2)cc1
InChIInChI=1S/C19H25NO/c1-5-10-20-13-16-6-8-17(9-7-16)18-11-14(2)19(21-4)15(3)12-18/h6-9,11-12,20H,5,10,13H2,1-4H3
InChIKeyBFEHSUVVEJZMQG-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.48
Rot. Bonds6

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

N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-1-amine (PubChem CID 83044761) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-1-amine
PubChem CID83044761
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(-c2cc(C)c(OC)c(C)c2)cc1
InChIInChI=1S/C19H25NO/c1-5-10-20-13-16-6-8-17(9-7-16)18-11-14(2)19(21-4)15(3)12-18/h6-9,11-12,20H,5,10,13H2,1-4H3
InChIKeyBFEHSUVVEJZMQG-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-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-1-amine
CID 61033548
N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-2-amine
CID 83046374
N-[[4-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911552
N-[[5-(3,4-dimethylphenyl)-2-methoxyphenyl]methyl]propan-1-amine
CID 63424666
N-[(4-ethoxy-3,5-dimethylphenyl)methyl]propan-1-amine
CID 43276749
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
N-[[4-(3-fluoro-4-methoxyphenyl)-3-methylphenyl]methyl]propan-1-amine
CID 66480035
5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine
CID 83067861
N-[[4-(3-propylphenyl)phenyl]methyl]propan-1-amine
CID 116545296
N-[[3-(5-chloro-2-methoxyphenyl)-4-methylphenyl]methyl]propan-1-amine
CID 105408414
N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-1-amine (CID 83044761) is N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(-c2cc(C)c(OC)c(C)c2)cc1.
What is the InChIKey of N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-1-amine?
The InChIKey is BFEHSUVVEJZMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-10-20-13-16-6-8-17(9-7-16)18-11-14(2)19(21-4)15(3)12-18/h6-9,11-12,20H,5,10,13H2,1-4H3.
What are the key properties of N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-1-amine?
N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]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-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 83044761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).