1-amino-3-(4-tert-butyl-2-methylphenyl)propan-2-ol

C14H23NO — CID 116859183

IUPAC1-amino-3-(4-tert-butyl-2-methylphenyl)propan-2-ol
SMILESCc1cc(C(C)(C)C)ccc1CC(O)CN
InChIInChI=1S/C14H23NO/c1-10-7-12(14(2,3)4)6-5-11(10)8-13(16)9-15/h5-7,13,16H,8-9,15H2,1-4H3
InChIKeyFKNHEIDYDGUBRW-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.15
Rot. Bonds3

About 1-amino-3-(4-tert-butyl-2-methylphenyl)propan-2-ol

1-amino-3-(4-tert-butyl-2-methylphenyl)propan-2-ol (PubChem CID 116859183) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-amino-3-(4-tert-butyl-2-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4-tert-butyl-2-methylphenyl)propan-2-ol
PubChem CID116859183
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-amino-3-(4-tert-butyl-2-methylphenyl)propan-2-ol
SMILESCc1cc(C(C)(C)C)ccc1CC(O)CN
InChIInChI=1S/C14H23NO/c1-10-7-12(14(2,3)4)6-5-11(10)8-13(16)9-15/h5-7,13,16H,8-9,15H2,1-4H3
InChIKeyFKNHEIDYDGUBRW-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol
CID 116859137
O-[(4-tert-butyl-2-methylphenyl)methyl]hydroxylamine
CID 83698395
2-[(4-tert-butyl-2-methylphenyl)methyl]-N-methylbutan-1-amine
CID 116931857
N-[(4-tert-butyl-2-methylphenyl)methyl]ethanamine
CID 82470206
1-(4-tert-butyl-2-methylphenyl)-N-methylmethanamine;molecular hydrogen
CID 176703161
3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol
CID 82048901
2-amino-N-[(4-tert-butyl-2-methylphenyl)methyl]propanamide
CID 115152398
1-(4-tert-butyl-2-methylphenyl)-N,N-dimethylethane-1,2-diamine
CID 82496475
2-amino-N-[2-(4-tert-butyl-2-methylphenyl)ethyl]propanamide
CID 115152518
2-N-[(5-tert-butyl-2-methylphenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 117039981
1-amino-3-[(2,4-dimethylphenyl)methylamino]propan-2-ol
CID 115121335
3-amino-1-(5-tert-butyl-2-methylphenyl)-2-methylpropan-1-one
CID 116915472

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-tert-butyl-2-methylphenyl)propan-2-ol?
The IUPAC name of 1-amino-3-(4-tert-butyl-2-methylphenyl)propan-2-ol (CID 116859183) is 1-amino-3-(4-tert-butyl-2-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(4-tert-butyl-2-methylphenyl)propan-2-ol?
The canonical SMILES for 1-amino-3-(4-tert-butyl-2-methylphenyl)propan-2-ol is Cc1cc(C(C)(C)C)ccc1CC(O)CN.
What is the InChIKey of 1-amino-3-(4-tert-butyl-2-methylphenyl)propan-2-ol?
The InChIKey is FKNHEIDYDGUBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-10-7-12(14(2,3)4)6-5-11(10)8-13(16)9-15/h5-7,13,16H,8-9,15H2,1-4H3.
What are the key properties of 1-amino-3-(4-tert-butyl-2-methylphenyl)propan-2-ol?
1-amino-3-(4-tert-butyl-2-methylphenyl)propan-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-tert-butyl-2-methylphenyl)propan-2-ol is sourced from PubChem (CID 116859183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).