(2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol

C11H16ClNO — CID 93470492

IUPAC(2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)N[C@@H](CO)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-8(2)13-11(7-14)9-3-5-10(12)6-4-9/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m0/s1
InChIKeyRBBLEUAKMZQCRY-NSHDSACASA-N
MW213.71 g/mol
LogP2.37
Rot. Bonds4

About (2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol

(2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol (PubChem CID 93470492) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
PubChem CID93470492
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name(2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)N[C@@H](CO)c1ccc(Cl)cc1
InChIInChI=1S/C11H16ClNO/c1-8(2)13-11(7-14)9-3-5-10(12)6-4-9/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m0/s1
InChIKeyRBBLEUAKMZQCRY-NSHDSACASA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chlorophenyl)-2-[[(1R)-1-(5-methylfuran-2-yl)ethyl]amino]ethanol
CID 97056665
2-[1-(4-chlorophenyl)ethylamino]propane-1,3-diol
CID 65315422
2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol
CID 112513000
2-(4-chlorophenyl)-2-[1-(5-methyl-1H-pyrazol-4-yl)ethylamino]ethanol
CID 110011147
(2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol
CID 124511733
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(propan-2-ylamino)ethanol
CID 61048603
2-(4-methoxy-3-propan-2-ylphenyl)-2-(propan-2-ylamino)ethanol
CID 112512598
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929
4-[1-[[1-(4-chlorophenyl)-2-hydroxyethyl]amino]ethyl]-3-fluorobenzonitrile
CID 110028663
2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride
CID 122360330
2-(1-methylpyrrol-3-yl)-2-(propan-2-ylamino)ethanol
CID 82280921
2-(methylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 54776090

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of (2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol (CID 93470492) is (2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol is CC(C)N[C@@H](CO)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol?
The InChIKey is RBBLEUAKMZQCRY-NSHDSACASA-N. The full InChI is InChI=1S/C11H16ClNO/c1-8(2)13-11(7-14)9-3-5-10(12)6-4-9/h3-6,8,11,13-14H,7H2,1-2H3/t11-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol?
(2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol has a molecular weight of 213.71 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 93470492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).