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

C12H18ClNO2 — CID 52904788

IUPAC2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO2/c1-12(2,8-15)14-7-11(16)9-4-3-5-10(13)6-9/h3-6,11,14-16H,7-8H2,1-2H3/t11-/m0/s1
InChIKeyYFZYUTRLOMRWGU-NSHDSACASA-N
MW243.73 g/mol
LogP1.73
Rot. Bonds5

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

2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol (PubChem CID 52904788) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
PubChem CID52904788
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C12H18ClNO2/c1-12(2,8-15)14-7-11(16)9-4-3-5-10(13)6-9/h3-6,11,14-16H,7-8H2,1-2H3/t11-/m0/s1
InChIKeyYFZYUTRLOMRWGU-NSHDSACASA-N
XLogP1.73
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride
CID 67107982
2-[4-[[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropyl]amino]phenyl]acetic acid
CID 67810272
2-[[1-(3-chlorophenyl)-1-hydroxypropan-2-yl]amino]-2-methylpropan-1-ol;hydrochloride
CID 3027654
(2S)-2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3,3-dimethylbutanamide
CID 111750581
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol
CID 82045084
4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenol;hydrochloride
CID 67873161
1-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]ethanol
CID 23322163
(1S)-1-(3-chlorophenyl)-2-[(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)amino]ethanol
CID 122095980
4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]phenol
CID 14368658
(1R)-2-(tert-butylamino)-1-(3-fluorophenyl)ethanol
CID 67354588
methyl (2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propanoate
CID 139647161

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol (CID 52904788) is 2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol is CC(C)(CO)NC[C@H](O)c1cccc(Cl)c1.
What is the InChIKey of 2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol?
The InChIKey is YFZYUTRLOMRWGU-NSHDSACASA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-12(2,8-15)14-7-11(16)9-4-3-5-10(13)6-9/h3-6,11,14-16H,7-8H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol?
2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol has a molecular weight of 243.73 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 52904788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).