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

C14H23NO2 — CID 116859135

IUPAC1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(O)CN)cc1C(C)(C)C
InChIInChI=1S/C14H23NO2/c1-14(2,3)12-8-10(7-11(16)9-15)5-6-13(12)17-4/h5-6,8,11,16H,7,9,15H2,1-4H3
InChIKeyYWCSYFUJBYJGFU-UHFFFAOYSA-N
MW237.34 g/mol
LogP1.85
Rot. Bonds4

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

1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol (PubChem CID 116859135) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol
PubChem CID116859135
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol
SMILESCOc1ccc(CC(O)CN)cc1C(C)(C)C
InChIInChI=1S/C14H23NO2/c1-14(2,3)12-8-10(7-11(16)9-15)5-6-13(12)17-4/h5-6,8,11,16H,7,9,15H2,1-4H3
InChIKeyYWCSYFUJBYJGFU-UHFFFAOYSA-N
XLogP1.85
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3-tert-butyl-4-methoxyphenyl)propanamide
CID 116850832
1-amino-3-(4-fluoro-3-methoxyphenyl)propan-2-ol
CID 82397890
3-[(3-tert-butyl-4-methoxyphenyl)methylamino]propane-1,2-diol
CID 115122088
2-[(3-tert-butyl-4-methoxyphenyl)methyl]butanoic acid
CID 116930605
5-(3-tert-butyl-4-methoxyphenyl)pentane-2,3-diol
CID 83936813
2-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]guanidine
CID 112518697
1-amino-3-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 112508543
2-amino-N-[(3-tert-butyl-4-methoxyphenyl)methyl]acetamide
CID 96676289
4-(2-bromoethyl)-2-tert-butyl-1-methoxybenzene
CID 82488264
amino-(3-tert-butyl-4-methoxyphenyl)methanol
CID 116939595
1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-2-ol
CID 117339948
2-(3-tert-butyl-4-methoxyphenyl)ethylhydrazine
CID 94684195

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol?
The IUPAC name of 1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol (CID 116859135) is 1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol?
The canonical SMILES for 1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol is COc1ccc(CC(O)CN)cc1C(C)(C)C.
What is the InChIKey of 1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol?
The InChIKey is YWCSYFUJBYJGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(2,3)12-8-10(7-11(16)9-15)5-6-13(12)17-4/h5-6,8,11,16H,7,9,15H2,1-4H3.
What are the key properties of 1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol?
1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol has a molecular weight of 237.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(3-tert-butyl-4-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 116859135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).