1-[N-(1-hydroxypropyl)-2,4,6-trimethylanilino]propan-1-ol

C15H25NO2 — CID 21413032

IUPAC1-[N-(1-hydroxypropyl)-2,4,6-trimethylanilino]propan-1-ol
SMILESCCC(O)N(c1c(C)cc(C)cc1C)C(O)CC
InChIInChI=1S/C15H25NO2/c1-6-13(17)16(14(18)7-2)15-11(4)8-10(3)9-12(15)5/h8-9,13-14,17-18H,6-7H2,1-5H3
InChIKeyMLIXVEWXVHALKT-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.88
Rot. Bonds5

About 1-[N-(1-hydroxypropyl)-2,4,6-trimethylanilino]propan-1-ol

1-[N-(1-hydroxypropyl)-2,4,6-trimethylanilino]propan-1-ol (PubChem CID 21413032) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[N-(1-hydroxypropyl)-2,4,6-trimethylanilino]propan-1-ol.

Molecular Properties

Compound Name1-[N-(1-hydroxypropyl)-2,4,6-trimethylanilino]propan-1-ol
PubChem CID21413032
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name1-[N-(1-hydroxypropyl)-2,4,6-trimethylanilino]propan-1-ol
SMILESCCC(O)N(c1c(C)cc(C)cc1C)C(O)CC
InChIInChI=1S/C15H25NO2/c1-6-13(17)16(14(18)7-2)15-11(4)8-10(3)9-12(15)5/h8-9,13-14,17-18H,6-7H2,1-5H3
InChIKeyMLIXVEWXVHALKT-UHFFFAOYSA-N
XLogP2.88
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-butan-2-yl-1,3,5-trimethylbenzene;ethane;propane
CID 176709600
1,3-dimethyl-1,3-bis(2,4,6-trimethylphenyl)guanidine
CID 177044470
1-(2,4,6-trimethylphenoxy)butan-2-ol
CID 61218210
3-(N,2,4,6-tetramethylanilino)propane-1,2-diol
CID 115121983
N-butan-2-yl-2,4,6-trimethyl-N-(4-methylphenyl)aniline
CID 126691445
trihydroxy-(2,4,6-trimethylphenyl)phosphanium
CID 67570561
2,4,6-trimethyl-N,N-dipropylaniline
CID 50937082
2-methylbutane;1,3,5-trimethylbenzene
CID 162176469
2-(2,4,6-trimethylphenyl)propan-1-ol
CID 64989562
(1S,2R)-1-amino-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-ol;hydrochloride
CID 171268351
2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one
CID 43159904
ethyl 2,2-bis(2,4,6-trimethylphenyl)acetate
CID 134847476

Frequently Asked Questions

What is the IUPAC name of 1-[N-(1-hydroxypropyl)-2,4,6-trimethylanilino]propan-1-ol?
The IUPAC name of 1-[N-(1-hydroxypropyl)-2,4,6-trimethylanilino]propan-1-ol (CID 21413032) is 1-[N-(1-hydroxypropyl)-2,4,6-trimethylanilino]propan-1-ol.
What is the SMILES notation for 1-[N-(1-hydroxypropyl)-2,4,6-trimethylanilino]propan-1-ol?
The canonical SMILES for 1-[N-(1-hydroxypropyl)-2,4,6-trimethylanilino]propan-1-ol is CCC(O)N(c1c(C)cc(C)cc1C)C(O)CC.
What is the InChIKey of 1-[N-(1-hydroxypropyl)-2,4,6-trimethylanilino]propan-1-ol?
The InChIKey is MLIXVEWXVHALKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-13(17)16(14(18)7-2)15-11(4)8-10(3)9-12(15)5/h8-9,13-14,17-18H,6-7H2,1-5H3.
What are the key properties of 1-[N-(1-hydroxypropyl)-2,4,6-trimethylanilino]propan-1-ol?
1-[N-(1-hydroxypropyl)-2,4,6-trimethylanilino]propan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-(1-hydroxypropyl)-2,4,6-trimethylanilino]propan-1-ol is sourced from PubChem (CID 21413032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).