1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol

C16H27NO2 — CID 15518749

IUPAC1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol
SMILESC[C@H](c1ccccc1)N(CC(C)(C)O)CC(C)(C)O
InChIInChI=1S/C16H27NO2/c1-13(14-9-7-6-8-10-14)17(11-15(2,3)18)12-16(4,5)19/h6-10,13,18-19H,11-12H2,1-5H3/t13-/m1/s1
InChIKeyKPXFBWWCYLTIKC-CYBMUJFWSA-N
MW265.40 g/mol
LogP2.59
Rot. Bonds6

About 1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol

1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol (PubChem CID 15518749) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol
PubChem CID15518749
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol
SMILESC[C@H](c1ccccc1)N(CC(C)(C)O)CC(C)(C)O
InChIInChI=1S/C16H27NO2/c1-13(14-9-7-6-8-10-14)17(11-15(2,3)18)12-16(4,5)19/h6-10,13,18-19H,11-12H2,1-5H3/t13-/m1/s1
InChIKeyKPXFBWWCYLTIKC-CYBMUJFWSA-N
XLogP2.59
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methyl-N-(1-phenylethyl)acetamide
CID 78964844
2-methyl-5-phenylhexan-2-ol
CID 12716609
(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-phenylacetic acid
CID 79387422
N,N-bis(2-chloroethyl)-1-phenylethanamine;hydrochloride
CID 138396559
N,N-diethyl-1-phenylethanamine;nitroxyl
CID 144554786
(4R)-4-[benzyl-[(1S)-1-phenylethyl]amino]-2-methyl-4-phenylbutan-2-ol
CID 11559802
1-[ethyl-[(1S)-1-pyridin-2-ylethyl]amino]-2-methylpropan-2-ol
CID 97329633
N'-(1-phenylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494795
N-benzyl-N-[(1R)-1-phenylethyl]hydroxylamine
CID 15778138
(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine
CID 139197887
1-[1-(3-chlorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980622

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol (CID 15518749) is 1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol is C[C@H](c1ccccc1)N(CC(C)(C)O)CC(C)(C)O.
What is the InChIKey of 1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol?
The InChIKey is KPXFBWWCYLTIKC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(14-9-7-6-8-10-14)17(11-15(2,3)18)12-16(4,5)19/h6-10,13,18-19H,11-12H2,1-5H3/t13-/m1/s1.
What are the key properties of 1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol?
1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 15518749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).