3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol

C14H23NO — CID 82048901

IUPAC3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol
SMILESCc1ccc(C(C)(C)C)cc1C(O)CCN
InChIInChI=1S/C14H23NO/c1-10-5-6-11(14(2,3)4)9-12(10)13(16)7-8-15/h5-6,9,13,16H,7-8,15H2,1-4H3
InChIKeySIHYQOSKSKLYSR-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.67
Rot. Bonds3

About 3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol

3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol (PubChem CID 82048901) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol
PubChem CID82048901
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol
SMILESCc1ccc(C(C)(C)C)cc1C(O)CCN
InChIInChI=1S/C14H23NO/c1-10-5-6-11(14(2,3)4)9-12(10)13(16)7-8-15/h5-6,9,13,16H,7-8,15H2,1-4H3
InChIKeySIHYQOSKSKLYSR-UHFFFAOYSA-N
XLogP2.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-tert-butyl-2-methylphenyl)-4-hydroxybutanenitrile
CID 82082214
4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine
CID 83935321
4-tert-butyl-2-(4-chlorobutan-2-yl)-1-methylbenzene
CID 82084225
(1R)-3-amino-1-(2,4-dimethylphenyl)propan-1-ol
CID 93182212
1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol
CID 65148482
2-(5-tert-butyl-2-methylphenyl)-3-methylbutan-1-ol
CID 82083216
1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol
CID 116859137
3-(5-tert-butyl-2-methylphenyl)hexan-1-ol
CID 112508716
4-tert-butyl-2-(2-deuteriopropan-2-yl)-1-methylbenzene
CID 157217338
1-(4-tert-butyl-2-methylphenyl)-2-chloroethanol
CID 116863579
1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904659
2-(4-tert-butyl-2-methylphenyl)-N,N-dimethylbutane-1,4-diamine
CID 112517060

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol (CID 82048901) is 3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol is Cc1ccc(C(C)(C)C)cc1C(O)CCN.
What is the InChIKey of 3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol?
The InChIKey is SIHYQOSKSKLYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-5-6-11(14(2,3)4)9-12(10)13(16)7-8-15/h5-6,9,13,16H,7-8,15H2,1-4H3.
What are the key properties of 3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol?
3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 82048901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).