3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol

C19H25NO — CID 62624022

IUPAC3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol
SMILESCCN(CCC(O)c1ccccc1C)c1ccc(C)cc1
InChIInChI=1S/C19H25NO/c1-4-20(17-11-9-15(2)10-12-17)14-13-19(21)18-8-6-5-7-16(18)3/h5-12,19,21H,4,13-14H2,1-3H3
InChIKeyJPBOFKWKJYXLDB-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.25
Rot. Bonds6

About 3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol

3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol (PubChem CID 62624022) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol
PubChem CID62624022
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol
SMILESCCN(CCC(O)c1ccccc1C)c1ccc(C)cc1
InChIInChI=1S/C19H25NO/c1-4-20(17-11-9-15(2)10-12-17)14-13-19(21)18-8-6-5-7-16(18)3/h5-12,19,21H,4,13-14H2,1-3H3
InChIKeyJPBOFKWKJYXLDB-UHFFFAOYSA-N
XLogP4.25
TPSA23.47 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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(N-ethyl-4-methylanilino)-1-phenylpropan-1-ol
CID 62613271
1-(4-bromophenyl)-3-(N-ethyl-4-methylanilino)propan-1-ol
CID 63488227
3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62624194
1-(2-bromophenyl)-N'-ethyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 63494059
3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62625075
3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 63692501
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
2-amino-4-(N-ethyl-4-methylanilino)butanoic acid
CID 63052954
1-(4-chloro-3-methylphenyl)-3-(N-ethylanilino)propan-1-ol
CID 82074609
3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62622938
1-(4-chlorophenyl)-3-(N-ethylanilino)propan-1-ol
CID 62645445
N'-ethyl-N'-(2-methylphenyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 63484319

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol (CID 62624022) is 3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol is CCN(CCC(O)c1ccccc1C)c1ccc(C)cc1.
What is the InChIKey of 3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol?
The InChIKey is JPBOFKWKJYXLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-20(17-11-9-15(2)10-12-17)14-13-19(21)18-8-6-5-7-16(18)3/h5-12,19,21H,4,13-14H2,1-3H3.
What are the key properties of 3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol?
3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol has a molecular weight of 283.42 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 62624022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).