(tert-butylamino)-phenylmethanol;ethane

C13H23NO — CID 143300021

IUPAC(tert-butylamino)-phenylmethanol;ethane
SMILESCC.CC(C)(C)NC(O)c1ccccc1
InChIInChI=1S/C11H17NO.C2H6/c1-11(2,3)12-10(13)9-7-5-4-6-8-9;1-2/h4-8,10,12-13H,1-3H3;1-2H3
InChIKeyINBTULLYMUNSAK-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.09
Rot. Bonds2

About (tert-butylamino)-phenylmethanol;ethane

(tert-butylamino)-phenylmethanol;ethane (PubChem CID 143300021) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (tert-butylamino)-phenylmethanol;ethane.

Molecular Properties

Compound Name(tert-butylamino)-phenylmethanol;ethane
PubChem CID143300021
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(tert-butylamino)-phenylmethanol;ethane
SMILESCC.CC(C)(C)NC(O)c1ccccc1
InChIInChI=1S/C11H17NO.C2H6/c1-11(2,3)12-10(13)9-7-5-4-6-8-9;1-2/h4-8,10,12-13H,1-3H3;1-2H3
InChIKeyINBTULLYMUNSAK-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (tert-butylamino)-phenylmethanol;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclodecapentaenyl(methylamino)methanol
CID 129203731
N-(1,1-diphenylpropan-2-yl)-2-methylpropan-2-amine
CID 14902890
1-N'-tert-butyl-1-N-[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070986
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
2-(tert-butylamino)-2-phenylacetaldehyde
CID 178029688
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568
2-methylpropan-2-ol;1-phenylethanol
CID 160949043
N-[benzhydryl(dimethyl)silyl]-2-methylpropan-2-amine
CID 54565291
(1S)-2-amino-2-methyl-1-phenylpropan-1-ol
CID 38988546
2,3-dimethylbutane-2,3-diol;1-phenylethanol
CID 67631199
2-(tert-butylamino)-N,N-diethyl-2-phenylacetamide
CID 11118885
(1S)-1-phenylethanol
CID 157125626

Frequently Asked Questions

What is the IUPAC name of (tert-butylamino)-phenylmethanol;ethane?
The IUPAC name of (tert-butylamino)-phenylmethanol;ethane (CID 143300021) is (tert-butylamino)-phenylmethanol;ethane.
What is the SMILES notation for (tert-butylamino)-phenylmethanol;ethane?
The canonical SMILES for (tert-butylamino)-phenylmethanol;ethane is CC.CC(C)(C)NC(O)c1ccccc1.
What is the InChIKey of (tert-butylamino)-phenylmethanol;ethane?
The InChIKey is INBTULLYMUNSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C2H6/c1-11(2,3)12-10(13)9-7-5-4-6-8-9;1-2/h4-8,10,12-13H,1-3H3;1-2H3.
What are the key properties of (tert-butylamino)-phenylmethanol;ethane?
(tert-butylamino)-phenylmethanol;ethane has a molecular weight of 209.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (tert-butylamino)-phenylmethanol;ethane is sourced from PubChem (CID 143300021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).