3-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]propan-1-ol

C17H29NO — CID 115217050

IUPAC3-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]propan-1-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1CCNCCCO
InChIInChI=1S/C17H29NO/c1-13-11-15(17(3,4)5)12-14(2)16(13)7-9-18-8-6-10-19/h11-12,18-19H,6-10H2,1-5H3
InChIKeyJRMAHGHQQFZEOG-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.12
Rot. Bonds6

About 3-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]propan-1-ol

3-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]propan-1-ol (PubChem CID 115217050) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 3-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]propan-1-ol
PubChem CID115217050
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name3-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]propan-1-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1CCNCCCO
InChIInChI=1S/C17H29NO/c1-13-11-15(17(3,4)5)12-14(2)16(13)7-9-18-8-6-10-19/h11-12,18-19H,6-10H2,1-5H3
InChIKeyJRMAHGHQQFZEOG-UHFFFAOYSA-N
XLogP3.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]acetamide
CID 115260120
4-tert-butyl-N-(3-hydroxypropyl)-2,6-dimethylbenzamide
CID 96666562
2-methyl-1-[2-(2,4,6-trimethylphenyl)ethylamino]propan-2-ol
CID 96661132
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]cyclopropanamine
CID 96662677
4-(4-tert-butyl-2,6-dimethylphenyl)butane-1-thiol
CID 95461659
5-(4-tert-butyl-2,6-dimethylphenyl)pentanal
CID 98015684
3-[(4-tert-butyl-2,6-dimethylphenyl)methyl-methylamino]propan-1-ol
CID 115216933
4-(4-tert-butyl-2,6-dimethylphenyl)butanehydrazide
CID 116843609
4-[2-(2,5-dimethylphenyl)ethylamino]butan-1-ol
CID 115217740
3-[3-tert-butyl-5-(3-hydroxypropyl)phenyl]propan-1-ol
CID 71150816
1,5-ditert-butyl-2-[3-(2,4-ditert-butyl-6-methylphenyl)propyl]-3-methylbenzene
CID 174153590
2-methyl-1-N-[2-(2,4,6-trimethylphenyl)ethyl]propane-1,2-diamine
CID 115136129

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]propan-1-ol?
The IUPAC name of 3-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]propan-1-ol (CID 115217050) is 3-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]propan-1-ol.
What is the SMILES notation for 3-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]propan-1-ol?
The canonical SMILES for 3-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]propan-1-ol is Cc1cc(C(C)(C)C)cc(C)c1CCNCCCO.
What is the InChIKey of 3-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]propan-1-ol?
The InChIKey is JRMAHGHQQFZEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13-11-15(17(3,4)5)12-14(2)16(13)7-9-18-8-6-10-19/h11-12,18-19H,6-10H2,1-5H3.
What are the key properties of 3-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]propan-1-ol?
3-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]propan-1-ol has a molecular weight of 263.42 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]propan-1-ol is sourced from PubChem (CID 115217050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).