[[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol

C11H16ClNO — CID 115229593

IUPAC[[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol
SMILESCC(C)(CNCO)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-11(2,7-13-8-14)9-3-5-10(12)6-4-9/h3-6,13-14H,7-8H2,1-2H3
InChIKeyKQPHGIAMTNTYAF-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.16
Rot. Bonds4

About [[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol

[[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol (PubChem CID 115229593) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is [[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol.

Molecular Properties

Compound Name[[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol
PubChem CID115229593
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name[[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol
SMILESCC(C)(CNCO)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-11(2,7-13-8-14)9-3-5-10(12)6-4-9/h3-6,13-14H,7-8H2,1-2H3
InChIKeyKQPHGIAMTNTYAF-UHFFFAOYSA-N
XLogP2.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-chlorophenyl)-2-methylpropyl]amino]ethanol
CID 115216485
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]propane-1,2-diol
CID 115122482
N'-[2-(4-chlorophenyl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196146
1-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115222567
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid
CID 115219650
(E)-4-[[2-(4-chlorophenyl)-2-methylpropyl]amino]but-2-enoic acid
CID 115237399
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119738056
2-N-[2-(4-chlorophenyl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115133060
N-[(4-chlorophenyl)methyl]-2-methyl-2-phenylpropan-1-amine
CID 55193502
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine
CID 115244439
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-sulfanylacetamide
CID 115167558
2-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]-2-methylpropanamide
CID 110460951

Frequently Asked Questions

What is the IUPAC name of [[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol?
The IUPAC name of [[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol (CID 115229593) is [[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol.
What is the SMILES notation for [[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol?
The canonical SMILES for [[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol is CC(C)(CNCO)c1ccc(Cl)cc1.
What is the InChIKey of [[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol?
The InChIKey is KQPHGIAMTNTYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-11(2,7-13-8-14)9-3-5-10(12)6-4-9/h3-6,13-14H,7-8H2,1-2H3.
What are the key properties of [[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol?
[[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol has a molecular weight of 213.71 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(4-chlorophenyl)-2-methylpropyl]amino]methanol is sourced from PubChem (CID 115229593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).