N-[(4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine

C19H25NO — CID 43492161

IUPACN-[(4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H25NO/c1-5-20-19(16-8-6-15(4)7-9-16)17-10-12-18(13-11-17)21-14(2)3/h6-14,19-20H,5H2,1-4H3
InChIKeyROTHSIUPJAGLDT-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.48
Rot. Bonds6

About N-[(4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine

N-[(4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 43492161) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID43492161
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-[(4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)c1ccc(OC(C)C)cc1
InChIInChI=1S/C19H25NO/c1-5-20-19(16-8-6-15(4)7-9-16)17-10-12-18(13-11-17)21-14(2)3/h6-14,19-20H,5H2,1-4H3
InChIKeyROTHSIUPJAGLDT-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

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Related Compounds

N-[(4-bromophenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 43492153
N-[(4-methyl-2-pyridinyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 63841246
N-[(4-methylphenyl)-phenylmethyl]ethanamine
CID 43389847
N-[(5-bromo-4-methylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79977353
N-[(1,3-dimethylpyrazol-4-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 102803589
N-[(3-ethylthiophen-2-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79972709
ethyl 2-(ethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 54932724
N-[(2,5-dichlorothiophen-3-yl)-(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 107960770
N-[(3,4-dimethylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43488020
N-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 43489198
N-[(4-propan-2-yloxyphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 43497092
3-ethoxy-N-ethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine
CID 105144753

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine (CID 43492161) is N-[(4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine is CCNC(c1ccc(C)cc1)c1ccc(OC(C)C)cc1.
What is the InChIKey of N-[(4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is ROTHSIUPJAGLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-20-19(16-8-6-15(4)7-9-16)17-10-12-18(13-11-17)21-14(2)3/h6-14,19-20H,5H2,1-4H3.
What are the key properties of N-[(4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine?
N-[(4-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine 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-methylphenyl)-(4-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43492161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).