N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine

C19H25NO — CID 115952657

IUPACN-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1cccc(C)c1OCc1cc(C)ccc1C
InChIInChI=1S/C19H25NO/c1-5-20-12-17-8-6-7-16(4)19(17)21-13-18-11-14(2)9-10-15(18)3/h6-11,20H,5,12-13H2,1-4H3
InChIKeySHNDICBOAOUMFP-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.30
Rot. Bonds6

About N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine

N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine (PubChem CID 115952657) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine
PubChem CID115952657
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1cccc(C)c1OCc1cc(C)ccc1C
InChIInChI=1S/C19H25NO/c1-5-20-12-17-8-6-7-16(4)19(17)21-13-18-11-14(2)9-10-15(18)3/h6-11,20H,5,12-13H2,1-4H3
InChIKeySHNDICBOAOUMFP-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethoxy-3-methylphenyl)methyl]ethanamine
CID 97179094
4-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]phenol
CID 115952579
2-[[2-(ethylaminomethyl)-6-methylphenoxy]methyl]benzonitrile
CID 115952624
N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115953307
N-[[3-chloro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115952978
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methylphenyl]methyl]ethanamine
CID 115952569
N-[[3-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112608993
N-[[3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609097
1-[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone
CID 82092575
N-[[3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112609118
N-[[2-(3-fluoropropoxy)-3-methylphenyl]methyl]ethanamine
CID 112609046
2-[2-(ethylaminomethyl)-6-methylphenoxy]acetonitrile
CID 112609123

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine (CID 115952657) is N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine is CCNCc1cccc(C)c1OCc1cc(C)ccc1C.
What is the InChIKey of N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine?
The InChIKey is SHNDICBOAOUMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-20-12-17-8-6-7-16(4)19(17)21-13-18-11-14(2)9-10-15(18)3/h6-11,20H,5,12-13H2,1-4H3.
What are the key properties of N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine?
N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 115952657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).