1-(4-tert-butyl-2,6-dimethylphenyl)-2-(methylamino)propan-1-ol

C16H27NO — CID 82297228

IUPAC1-(4-tert-butyl-2,6-dimethylphenyl)-2-(methylamino)propan-1-ol
SMILESCNC(C)C(O)c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C16H27NO/c1-10-8-13(16(4,5)6)9-11(2)14(10)15(18)12(3)17-7/h8-9,12,15,17-18H,1-7H3
InChIKeyAYHGELRPVDUBLG-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.24
Rot. Bonds3

About 1-(4-tert-butyl-2,6-dimethylphenyl)-2-(methylamino)propan-1-ol

1-(4-tert-butyl-2,6-dimethylphenyl)-2-(methylamino)propan-1-ol (PubChem CID 82297228) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-tert-butyl-2,6-dimethylphenyl)-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butyl-2,6-dimethylphenyl)-2-(methylamino)propan-1-ol
PubChem CID82297228
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(4-tert-butyl-2,6-dimethylphenyl)-2-(methylamino)propan-1-ol
SMILESCNC(C)C(O)c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C16H27NO/c1-10-8-13(16(4,5)6)9-11(2)14(10)15(18)12(3)17-7/h8-9,12,15,17-18H,1-7H3
InChIKeyAYHGELRPVDUBLG-UHFFFAOYSA-N
XLogP3.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-1-ol
CID 82303464
1-(4-tert-butyl-2-methylphenyl)-1-(methylamino)propan-2-ol
CID 116859476
2-(propylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82314916
1-(4-methoxy-2,6-dimethylphenyl)-2-(propan-2-ylamino)propan-1-ol
CID 82315867
4-[(1R,2S)-1-hydroxy-2-(methylamino)propyl]benzene-1,2-diol
CID 11106302
1-[4-(hydroxymethyl)-3-methylphenyl]-2-(methylamino)propan-1-ol
CID 177439822
(1S,2R)-1-hydroxy-2,4,4-trimethyl-1-(2,4,6-trimethylphenyl)pentan-3-one
CID 11991420
1-(4-tert-butyl-2,6-dimethylphenyl)-N'-propan-2-ylethane-1,2-diamine
CID 116935061
2-(2-methoxyethylamino)-1-(2,4,6-trimethylphenyl)propan-1-ol
CID 82314934
4-tert-butyl-N,2-dimethyl-6-propan-2-ylaniline
CID 145139465
2-(4-tert-butyl-2,6-dimethylphenyl)butan-1-ol
CID 116964129
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)-2-(methylamino)propan-1-ol?
The IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)-2-(methylamino)propan-1-ol (CID 82297228) is 1-(4-tert-butyl-2,6-dimethylphenyl)-2-(methylamino)propan-1-ol.
What is the SMILES notation for 1-(4-tert-butyl-2,6-dimethylphenyl)-2-(methylamino)propan-1-ol?
The canonical SMILES for 1-(4-tert-butyl-2,6-dimethylphenyl)-2-(methylamino)propan-1-ol is CNC(C)C(O)c1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 1-(4-tert-butyl-2,6-dimethylphenyl)-2-(methylamino)propan-1-ol?
The InChIKey is AYHGELRPVDUBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-10-8-13(16(4,5)6)9-11(2)14(10)15(18)12(3)17-7/h8-9,12,15,17-18H,1-7H3.
What are the key properties of 1-(4-tert-butyl-2,6-dimethylphenyl)-2-(methylamino)propan-1-ol?
1-(4-tert-butyl-2,6-dimethylphenyl)-2-(methylamino)propan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2,6-dimethylphenyl)-2-(methylamino)propan-1-ol is sourced from PubChem (CID 82297228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).