2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid

C14H24N2O3 — CID 174822105

IUPAC2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid
SMILESCC(C)(C)c1ccc(CC(N)CO)cc1.NC(=O)O
InChIInChI=1S/C13H21NO.CH3NO2/c1-13(2,3)11-6-4-10(5-7-11)8-12(14)9-15;2-1(3)4/h4-7,12,15H,8-9,14H2,1-3H3;2H2,(H,3,4)
InChIKeyBFFKTSPGRKSZOP-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.47
Rot. Bonds3

About 2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid

2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid (PubChem CID 174822105) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid.

Molecular Properties

Compound Name2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid
PubChem CID174822105
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid
SMILESCC(C)(C)c1ccc(CC(N)CO)cc1.NC(=O)O
InChIInChI=1S/C13H21NO.CH3NO2/c1-13(2,3)11-6-4-10(5-7-11)8-12(14)9-15;2-1(3)4/h4-7,12,15H,8-9,14H2,1-3H3;2H2,(H,3,4)
InChIKeyBFFKTSPGRKSZOP-UHFFFAOYSA-N
XLogP1.47
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-5-(4-tert-butylphenyl)pentanoic acid
CID 62961688
(3R)-3-amino-4-(4-tert-butylphenyl)butan-2-one;ethane
CID 143606958
3-(4-tert-butylphenyl)-2-hydroxypropanamide
CID 69343223
[4-(2-amino-3-hydroxypropyl)phenyl]-tert-butylcarbamic acid
CID 134555838
4-[4-(2-amino-3-hydroxypropyl)phenyl]benzoic acid;hydrochloride
CID 170892858
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
(2S)-2-amino-3-(4-methylphenyl)propan-1-ol
CID 28804561
2-amino-3-(4-tert-butylphenyl)-N-methylpropanamide
CID 116850478
ethyl 2-amino-3-(4-tert-butylphenyl)propanoate
CID 3527165
1-(4-tert-butylphenyl)-4-phenylbutan-2-amine
CID 63417179
(2S)-3-amino-4-(4-tert-butylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoic acid
CID 57349754
[(2R)-2-[(4-tert-butylphenyl)methyl]-3-hydroxypropyl] acetate
CID 11832292

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid?
The IUPAC name of 2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid (CID 174822105) is 2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid.
What is the SMILES notation for 2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid?
The canonical SMILES for 2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid is CC(C)(C)c1ccc(CC(N)CO)cc1.NC(=O)O.
What is the InChIKey of 2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid?
The InChIKey is BFFKTSPGRKSZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO.CH3NO2/c1-13(2,3)11-6-4-10(5-7-11)8-12(14)9-15;2-1(3)4/h4-7,12,15H,8-9,14H2,1-3H3;2H2,(H,3,4).
What are the key properties of 2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid?
2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid has a molecular weight of 268.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-tert-butylphenyl)propan-1-ol;carbamic acid is sourced from PubChem (CID 174822105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).