1-(4-chlorophenyl)-2-(2-methylpropoxyamino)ethanol

C12H18ClNO2 — CID 82715842

IUPAC1-(4-chlorophenyl)-2-(2-methylpropoxyamino)ethanol
SMILESCC(C)CONCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO2/c1-9(2)8-16-14-7-12(15)10-3-5-11(13)6-4-10/h3-6,9,12,14-15H,7-8H2,1-2H3
InChIKeyBAOAEXRHSJSLDO-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.55
Rot. Bonds6

About 1-(4-chlorophenyl)-2-(2-methylpropoxyamino)ethanol

1-(4-chlorophenyl)-2-(2-methylpropoxyamino)ethanol (PubChem CID 82715842) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2-methylpropoxyamino)ethanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2-methylpropoxyamino)ethanol
PubChem CID82715842
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name1-(4-chlorophenyl)-2-(2-methylpropoxyamino)ethanol
SMILESCC(C)CONCC(O)c1ccc(Cl)cc1
InChIInChI=1S/C12H18ClNO2/c1-9(2)8-16-14-7-12(15)10-3-5-11(13)6-4-10/h3-6,9,12,14-15H,7-8H2,1-2H3
InChIKeyBAOAEXRHSJSLDO-UHFFFAOYSA-N
XLogP2.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-2-(3-methylpentan-2-ylamino)ethanol
CID 54949960
(1S)-1-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
CID 42553219
1-(1,3-benzodioxol-5-yl)-2-(2-methylpropoxyamino)ethanol
CID 82722356
1-(4-chlorophenyl)-5-methylhexan-1-ol
CID 83158277
1-(4-chlorophenyl)-2-[(1-methoxy-3-methylbutan-2-yl)amino]ethanol
CID 65048817
1-(4-chlorophenyl)-2-(4-propan-2-yloxyanilino)ethanol
CID 60902136
(1S)-2-(tert-butylamino)-1-(4-chlorophenyl)ethanol
CID 39247269
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-methylbutoxy)propanamide
CID 110931236
4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 113376212
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-methylpropanamide
CID 82117612
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(4-methoxyphenyl)ethanol
CID 81356620
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2-methylpropoxyamino)ethanol?
The IUPAC name of 1-(4-chlorophenyl)-2-(2-methylpropoxyamino)ethanol (CID 82715842) is 1-(4-chlorophenyl)-2-(2-methylpropoxyamino)ethanol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2-methylpropoxyamino)ethanol?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2-methylpropoxyamino)ethanol is CC(C)CONCC(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2-methylpropoxyamino)ethanol?
The InChIKey is BAOAEXRHSJSLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-9(2)8-16-14-7-12(15)10-3-5-11(13)6-4-10/h3-6,9,12,14-15H,7-8H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2-methylpropoxyamino)ethanol?
1-(4-chlorophenyl)-2-(2-methylpropoxyamino)ethanol has a molecular weight of 243.73 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2-methylpropoxyamino)ethanol is sourced from PubChem (CID 82715842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).