1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine

C19H25NO — CID 43097526

IUPAC1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine
SMILESCc1cc(OCC(N)c2ccccc2C)ccc1C(C)C
InChIInChI=1S/C19H25NO/c1-13(2)17-10-9-16(11-15(17)4)21-12-19(20)18-8-6-5-7-14(18)3/h5-11,13,19H,12,20H2,1-4H3
InChIKeyXKFLMTVZTQEHIY-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.51
Rot. Bonds5

About 1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine

1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine (PubChem CID 43097526) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine
PubChem CID43097526
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine
SMILESCc1cc(OCC(N)c2ccccc2C)ccc1C(C)C
InChIInChI=1S/C19H25NO/c1-13(2)17-10-9-16(11-15(17)4)21-12-19(20)18-8-6-5-7-14(18)3/h5-11,13,19H,12,20H2,1-4H3
InChIKeyXKFLMTVZTQEHIY-UHFFFAOYSA-N
XLogP4.51
TPSA35.25 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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 43108631
4-[2-amino-2-(2-methylphenyl)ethoxy]phenol
CID 117243730
2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine
CID 117243728
2-(4-butan-2-ylphenoxy)-1-(2-methylphenyl)ethanamine
CID 107664275
(2S)-1-amino-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 9159080
2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanenitrile
CID 43367430
2-(4-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)ethanamine
CID 105115241
2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)propanoic acid
CID 43537580
2-(3,4-dimethylphenoxy)-1-phenylethanamine
CID 16786157
2-(3,4-dimethylphenoxy)-1-phenylethanamine;hydrochloride
CID 162339872
1-(dimethylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 3719845
1-(methylamino)-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 43188013

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine?
The IUPAC name of 1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine (CID 43097526) is 1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine.
What is the SMILES notation for 1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine?
The canonical SMILES for 1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine is Cc1cc(OCC(N)c2ccccc2C)ccc1C(C)C.
What is the InChIKey of 1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine?
The InChIKey is XKFLMTVZTQEHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-13(2)17-10-9-16(11-15(17)4)21-12-19(20)18-8-6-5-7-14(18)3/h5-11,13,19H,12,20H2,1-4H3.
What are the key properties of 1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine?
1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine is sourced from PubChem (CID 43097526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).