2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine

C19H25NO — CID 105350826

IUPAC2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine
SMILESCc1ccc(C(C)C)cc1OCc1ccc(CCN)cc1
InChIInChI=1S/C19H25NO/c1-14(2)18-9-4-15(3)19(12-18)21-13-17-7-5-16(6-8-17)10-11-20/h4-9,12,14H,10-11,13,20H2,1-3H3
InChIKeyKMJONBHKWQGNRE-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.20
Rot. Bonds6

About 2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine

2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine (PubChem CID 105350826) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine
PubChem CID105350826
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine
SMILESCc1ccc(C(C)C)cc1OCc1ccc(CCN)cc1
InChIInChI=1S/C19H25NO/c1-14(2)18-9-4-15(3)19(12-18)21-13-17-7-5-16(6-8-17)10-11-20/h4-9,12,14H,10-11,13,20H2,1-3H3
InChIKeyKMJONBHKWQGNRE-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-ethylphenyl)methoxy]-1-methyl-4-propan-2-ylbenzene
CID 81005543
[2-fluoro-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 107879001
2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 102986660
2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350512
[4-[(2-methyl-4-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 169301996
2-[3-bromo-4-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanamine
CID 63422162
3-fluoro-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]aniline
CID 64767730
4-(2-methyl-5-propan-2-ylphenoxy)but-2-en-1-amine
CID 77110625
1-methyl-2-(phenylmethoxymethoxy)-4-propan-2-ylbenzene
CID 102940832
1-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
CID 78959342
2-[4-[(3,4-dimethylphenoxy)methyl]phenyl]ethanamine
CID 105350576
[5-methyl-4-[(2-methyl-5-propan-2-ylphenoxy)methyl]thiophen-2-yl]methanamine
CID 80733492

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine?
The IUPAC name of 2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine (CID 105350826) is 2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine is Cc1ccc(C(C)C)cc1OCc1ccc(CCN)cc1.
What is the InChIKey of 2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine?
The InChIKey is KMJONBHKWQGNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(2)18-9-4-15(3)19(12-18)21-13-17-7-5-16(6-8-17)10-11-20/h4-9,12,14H,10-11,13,20H2,1-3H3.
What are the key properties of 2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine?
2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyl-5-propan-2-ylphenoxy)methyl]phenyl]ethanamine is sourced from PubChem (CID 105350826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).