1-[[2-(3-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropan-2-ol

C14H22ClNO2 — CID 111496501

IUPAC1-[[2-(3-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(O)c1cccc(Cl)c1)CC(C)(C)O
InChIInChI=1S/C14H22ClNO2/c1-4-16(10-14(2,3)18)9-13(17)11-6-5-7-12(15)8-11/h5-8,13,17-18H,4,9-10H2,1-3H3
InChIKeyIRIVUJWDSMRZHB-UHFFFAOYSA-N
MW271.79 g/mol
LogP2.47
Rot. Bonds6

About 1-[[2-(3-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropan-2-ol

1-[[2-(3-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropan-2-ol (PubChem CID 111496501) has the molecular formula C14H22ClNO2 and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-[[2-(3-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[2-(3-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropan-2-ol
PubChem CID111496501
Molecular FormulaC14H22ClNO2
Molecular Weight271.79 g/mol
Exact Mass271.13
IUPAC Name1-[[2-(3-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(O)c1cccc(Cl)c1)CC(C)(C)O
InChIInChI=1S/C14H22ClNO2/c1-4-16(10-14(2,3)18)9-13(17)11-6-5-7-12(15)8-11/h5-8,13,17-18H,4,9-10H2,1-3H3
InChIKeyIRIVUJWDSMRZHB-UHFFFAOYSA-N
XLogP2.47
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(3-chlorophenyl)-3-(ethylamino)propyl]-ethylamino]-2-methylpropan-2-ol
CID 79377199
1-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980622
1-(3-aminophenyl)-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 55055206
1-[[2-amino-1-(3-chlorophenyl)propyl]-ethylamino]-2-methylpropan-2-ol
CID 79384699
1-[2-(3-chlorophenoxy)ethyl-ethylamino]-2-methylpropan-2-ol
CID 79389653
2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
CID 52904788
1-[(3-bromo-2-phenylpropyl)-ethylamino]-2-methylpropan-2-ol
CID 79389825
1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
CID 55098610
1-(3-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62623656
1-(3-chlorophenyl)-2-propan-2-ylsulfanylethanol
CID 65132101
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
4-[(2R)-2-[bis[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenol
CID 18645339

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[2-(3-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropan-2-ol (CID 111496501) is 1-[[2-(3-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[2-(3-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[2-(3-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropan-2-ol is CCN(CC(O)c1cccc(Cl)c1)CC(C)(C)O.
What is the InChIKey of 1-[[2-(3-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropan-2-ol?
The InChIKey is IRIVUJWDSMRZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-4-16(10-14(2,3)18)9-13(17)11-6-5-7-12(15)8-11/h5-8,13,17-18H,4,9-10H2,1-3H3.
What are the key properties of 1-[[2-(3-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropan-2-ol?
1-[[2-(3-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropan-2-ol has a molecular weight of 271.79 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-chlorophenyl)-2-hydroxyethyl]-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 111496501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).