N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-2-amine

C19H25NO — CID 83046374

IUPACN-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-2-amine
SMILESCOc1c(C)cc(-c2ccc(CNC(C)C)cc2)cc1C
InChIInChI=1S/C19H25NO/c1-13(2)20-12-16-6-8-17(9-7-16)18-10-14(3)19(21-5)15(4)11-18/h6-11,13,20H,12H2,1-5H3
InChIKeyROTPBFCQRDPEIJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.48
Rot. Bonds5

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

N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-2-amine (PubChem CID 83046374) 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-2-amine.

Molecular Properties

Compound NameN-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-2-amine
PubChem CID83046374
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-2-amine
SMILESCOc1c(C)cc(-c2ccc(CNC(C)C)cc2)cc1C
InChIInChI=1S/C19H25NO/c1-13(2)20-12-16-6-8-17(9-7-16)18-10-14(3)19(21-5)15(4)11-18/h6-11,13,20H,12H2,1-5H3
InChIKeyROTPBFCQRDPEIJ-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-1-amine
CID 83044761
N-[[4-(4-fluoro-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 54911620
N-[[3-(4-methoxyphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 105408408
N,N'-di(propan-2-yl)ethane-1,2-diamine;N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propan-2-amine;N-[[4-[4-[(propan-2-ylamino)methyl]phenyl]phenyl]methyl]propan-2-amine
CID 159134090
N-[[3-(4-methoxy-3-methylphenyl)phenyl]methyl]propan-2-amine
CID 61034457
N-[[4-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732388
N-[[4-(4-butylphenyl)phenyl]methyl]propan-2-amine
CID 63424967
N-[(3,5-dimethyl-4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 60880054
N-[[4-methyl-3-(2,4,5-trimethylphenyl)phenyl]methyl]propan-2-amine
CID 105408916
N-[[4-(4-ethylphenyl)-3-methylphenyl]methyl]propan-2-amine
CID 66480830
(1S)-1-(3,5-dimethylphenyl)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]ethanamine
CID 99805530
4-methoxy-3-[4-[(propan-2-ylamino)methyl]phenyl]benzonitrile
CID 106951045

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-2-amine (CID 83046374) is N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-2-amine is COc1c(C)cc(-c2ccc(CNC(C)C)cc2)cc1C.
What is the InChIKey of N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-2-amine?
The InChIKey is ROTPBFCQRDPEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-13(2)20-12-16-6-8-17(9-7-16)18-10-14(3)19(21-5)15(4)11-18/h6-11,13,20H,12H2,1-5H3.
What are the key properties of N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-2-amine?
N-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]propan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.48, 5 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-2-amine is sourced from PubChem (CID 83046374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).