(2R)-2-amino-2-[6-(3-bromophenoxy)naphthalen-2-yl]propan-1-ol

C19H18BrNO2 — CID 46196315

IUPAC(2R)-2-amino-2-[6-(3-bromophenoxy)naphthalen-2-yl]propan-1-ol
SMILESC[C@](N)(CO)c1ccc2cc(Oc3cccc(Br)c3)ccc2c1
InChIInChI=1S/C19H18BrNO2/c1-19(21,12-22)15-7-5-14-10-18(8-6-13(14)9-15)23-17-4-2-3-16(20)11-17/h2-11,22H,12,21H2,1H3/t19-/m0/s1
InChIKeyZXUHLCSKGIIWHG-IBGZPJMESA-N
MW372.26 g/mol
LogP4.56
Rot. Bonds4

About (2R)-2-amino-2-[6-(3-bromophenoxy)naphthalen-2-yl]propan-1-ol

(2R)-2-amino-2-[6-(3-bromophenoxy)naphthalen-2-yl]propan-1-ol (PubChem CID 46196315) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is (2R)-2-amino-2-[6-(3-bromophenoxy)naphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[6-(3-bromophenoxy)naphthalen-2-yl]propan-1-ol
PubChem CID46196315
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC Name(2R)-2-amino-2-[6-(3-bromophenoxy)naphthalen-2-yl]propan-1-ol
SMILESC[C@](N)(CO)c1ccc2cc(Oc3cccc(Br)c3)ccc2c1
InChIInChI=1S/C19H18BrNO2/c1-19(21,12-22)15-7-5-14-10-18(8-6-13(14)9-15)23-17-4-2-3-16(20)11-17/h2-11,22H,12,21H2,1H3/t19-/m0/s1
InChIKeyZXUHLCSKGIIWHG-IBGZPJMESA-N
XLogP4.56
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-2-[3-[6-[[3,5-bis(trifluoromethyl)phenyl]methoxy]naphthalen-2-yl]propyl]propane-1,3-diol
CID 9935755
(R)-2-amino-2-(6-(cis-4-butylcyclohexyloxy)-5-(trifluoromethyl)naphthalen-2-yl)propan-1-ol
CID 45375826
(R)-2-amino-2-(6-(trans-4-(1,1-difluoroethyl)cyclohexyloxy)-5-(trifluoromethyl)naphthalen-2-yl)propan-1-ol
CID 46196118
(2R)-2-amino-2-[6-[4-(1,1-difluoropropyl)cyclohexyl]oxy-5-(trifluoromethyl)naphthalen-2-yl]propan-1-ol
CID 46196119
(R)-2-Amino-2-[5-trifluoromethyl-6-(trans-4-trifluoromethyl-cyclohexyloxy)-naphthalen-2-yl]-propan-1-ol
CID 46196120
(R)-2-amino-2-(6-(cis-4-phenylcyclohexyloxy)-5-(trifluoromethyl)naphthalen-2-yl)propan-1-ol
CID 46196190
(R)-2-amino-2-{6-[4-(1,1-dimethyl-propyl)-cyclohexyloxy]-5-trifluoromethyl-naphthalen-2-yl}-propan-1-ol
CID 46196191
(R)-2-amino-2-(6-(trans-4-tert-butylcyclohexyloxy)-5-(trifluoromethyl)naphthalen-2-yl)propan-1-ol
CID 46196209
(R)-2-amino-2-(6-(4-(trifluoromethyl)cyclohexyloxy)naphthalen-2-yl)propan-1-ol
CID 46196225
(2R)-2-amino-2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol
CID 46196228
(R)-2-Amino-2-[6-(4-cyclopentyl-cyclohexyloxy)-5-trifluoromethyl-naphthalen-2-yl]-propan-1-ol
CID 46196244
2-Amino-2-[5-trifluoromethyl-6-(4-trifluoromethylcyclohexyloxy)-naphthalen-2-yl]-propane-1,3-diol
CID 46196246

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[6-(3-bromophenoxy)naphthalen-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[6-(3-bromophenoxy)naphthalen-2-yl]propan-1-ol (CID 46196315) is (2R)-2-amino-2-[6-(3-bromophenoxy)naphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[6-(3-bromophenoxy)naphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[6-(3-bromophenoxy)naphthalen-2-yl]propan-1-ol is C[C@](N)(CO)c1ccc2cc(Oc3cccc(Br)c3)ccc2c1.
What is the InChIKey of (2R)-2-amino-2-[6-(3-bromophenoxy)naphthalen-2-yl]propan-1-ol?
The InChIKey is ZXUHLCSKGIIWHG-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18BrNO2/c1-19(21,12-22)15-7-5-14-10-18(8-6-13(14)9-15)23-17-4-2-3-16(20)11-17/h2-11,22H,12,21H2,1H3/t19-/m0/s1.
What are the key properties of (2R)-2-amino-2-[6-(3-bromophenoxy)naphthalen-2-yl]propan-1-ol?
(2R)-2-amino-2-[6-(3-bromophenoxy)naphthalen-2-yl]propan-1-ol has a molecular weight of 372.26 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[6-(3-bromophenoxy)naphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 46196315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).