3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol

C16H27NO — CID 62624194

IUPAC3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol
SMILESCCN(CCC(O)c1ccccc1C)CC(C)C
InChIInChI=1S/C16H27NO/c1-5-17(12-13(2)3)11-10-16(18)15-9-7-6-8-14(15)4/h6-9,13,16,18H,5,10-12H2,1-4H3
InChIKeyBWGZQWYRENJPLG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.40
Rot. Bonds7

About 3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol

3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol (PubChem CID 62624194) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol
PubChem CID62624194
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol
SMILESCCN(CCC(O)c1ccccc1C)CC(C)C
InChIInChI=1S/C16H27NO/c1-5-17(12-13(2)3)11-10-16(18)15-9-7-6-8-14(15)4/h6-9,13,16,18H,5,10-12H2,1-4H3
InChIKeyBWGZQWYRENJPLG-UHFFFAOYSA-N
XLogP3.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-ethoxyethyl(ethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 63692501
3-[bis(2-hydroxyethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62625075
3-(N-ethyl-4-methylanilino)-1-(2-methylphenyl)propan-1-ol
CID 62624022
3-(diethylamino)-1-(2-fluorophenyl)propan-1-ol
CID 62643876
3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62622938
1-(2-bromophenyl)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propan-1-ol
CID 62623839
3-[ethyl(2-methylpropyl)amino]-1-(3-fluorophenyl)propan-1-ol
CID 62628587
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 107487245
3-[benzyl(2-methylpropyl)amino]-1-(4-methylnaphthalen-1-yl)propan-1-ol
CID 59570754
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
3-[ethyl(2-methylbutyl)amino]-1-phenylpropan-1-ol
CID 79480920
3-(diethylamino)-1-(4-fluoro-2-methylphenyl)propan-1-ol
CID 79086972

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol?
The IUPAC name of 3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol (CID 62624194) is 3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol is CCN(CCC(O)c1ccccc1C)CC(C)C.
What is the InChIKey of 3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol?
The InChIKey is BWGZQWYRENJPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-17(12-13(2)3)11-10-16(18)15-9-7-6-8-14(15)4/h6-9,13,16,18H,5,10-12H2,1-4H3.
What are the key properties of 3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol?
3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylpropyl)amino]-1-(2-methylphenyl)propan-1-ol is sourced from PubChem (CID 62624194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).