(3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol

C18H23NO2 — CID 171251128

IUPAC(3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol
SMILESCC(C)(CO)[C@@H](N)c1ccccc1OCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-18(2,13-20)17(19)15-10-6-7-11-16(15)21-12-14-8-4-3-5-9-14/h3-11,17,20H,12-13,19H2,1-2H3/t17-/m0/s1
InChIKeyHWTOKBJKUZBVRS-KRWDZBQOSA-N
MW285.39 g/mol
LogP3.28
Rot. Bonds6

About (3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol

(3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol (PubChem CID 171251128) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol
PubChem CID171251128
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol
SMILESCC(C)(CO)[C@@H](N)c1ccccc1OCc1ccccc1
InChIInChI=1S/C18H23NO2/c1-18(2,13-20)17(19)15-10-6-7-11-16(15)21-12-14-8-4-3-5-9-14/h3-11,17,20H,12-13,19H2,1-2H3/t17-/m0/s1
InChIKeyHWTOKBJKUZBVRS-KRWDZBQOSA-N
XLogP3.28
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171251150
2-amino-2-(2-phenylmethoxyphenyl)ethanol
CID 77130440
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
2-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-(trifluoromethoxy)phenol
CID 171255546
3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzene-1,2-diol
CID 131376130
(1S)-2,2-difluoro-1-(2-phenylmethoxyphenyl)ethanamine
CID 171251122
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]phenol;hydrochloride
CID 171246640
(1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol
CID 171265324
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
2-(2-phenylmethoxyphenyl)butane-1,3-diamine
CID 57280204
(3S)-3-amino-3-(2-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 10330849
(2R)-2-(2-phenylmethoxyphenyl)propanoic acid
CID 129363475

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol (CID 171251128) is (3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol is CC(C)(CO)[C@@H](N)c1ccccc1OCc1ccccc1.
What is the InChIKey of (3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol?
The InChIKey is HWTOKBJKUZBVRS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23NO2/c1-18(2,13-20)17(19)15-10-6-7-11-16(15)21-12-14-8-4-3-5-9-14/h3-11,17,20H,12-13,19H2,1-2H3/t17-/m0/s1.
What are the key properties of (3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol?
(3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2-dimethyl-3-(2-phenylmethoxyphenyl)propan-1-ol is sourced from PubChem (CID 171251128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).