(2R)-1-(1-adamantylamino)-2-(4-bromophenyl)propan-2-ol

C19H26BrNO — CID 7419649

IUPAC(2R)-1-(1-adamantylamino)-2-(4-bromophenyl)propan-2-ol
SMILESC[C@](O)(CNC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1
InChIInChI=1S/C19H26BrNO/c1-18(22,16-2-4-17(20)5-3-16)12-21-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15,21-22H,6-12H2,1H3/t13?,14?,15?,18-,19?/m0/s1
InChIKeyXEEHIOYDVAHMQP-ZSWVUIPGSA-N
MW364.33 g/mol
LogP4.22
Rot. Bonds4

About (2R)-1-(1-adamantylamino)-2-(4-bromophenyl)propan-2-ol

(2R)-1-(1-adamantylamino)-2-(4-bromophenyl)propan-2-ol (PubChem CID 7419649) has the molecular formula C19H26BrNO and a molecular weight of 364.33 g/mol. Its IUPAC name is (2R)-1-(1-adamantylamino)-2-(4-bromophenyl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(1-adamantylamino)-2-(4-bromophenyl)propan-2-ol
PubChem CID7419649
Molecular FormulaC19H26BrNO
Molecular Weight364.33 g/mol
Exact Mass363.12
IUPAC Name(2R)-1-(1-adamantylamino)-2-(4-bromophenyl)propan-2-ol
SMILESC[C@](O)(CNC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1
InChIInChI=1S/C19H26BrNO/c1-18(22,16-2-4-17(20)5-3-16)12-21-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15,21-22H,6-12H2,1H3/t13?,14?,15?,18-,19?/m0/s1
InChIKeyXEEHIOYDVAHMQP-ZSWVUIPGSA-N
XLogP4.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1-adamantylamino)-2-(4-bromophenyl)propan-2-ol?
The IUPAC name of (2R)-1-(1-adamantylamino)-2-(4-bromophenyl)propan-2-ol (CID 7419649) is (2R)-1-(1-adamantylamino)-2-(4-bromophenyl)propan-2-ol.
What is the SMILES notation for (2R)-1-(1-adamantylamino)-2-(4-bromophenyl)propan-2-ol?
The canonical SMILES for (2R)-1-(1-adamantylamino)-2-(4-bromophenyl)propan-2-ol is C[C@](O)(CNC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1.
What is the InChIKey of (2R)-1-(1-adamantylamino)-2-(4-bromophenyl)propan-2-ol?
The InChIKey is XEEHIOYDVAHMQP-ZSWVUIPGSA-N. The full InChI is InChI=1S/C19H26BrNO/c1-18(22,16-2-4-17(20)5-3-16)12-21-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15,21-22H,6-12H2,1H3/t13?,14?,15?,18-,19?/m0/s1.
What are the key properties of (2R)-1-(1-adamantylamino)-2-(4-bromophenyl)propan-2-ol?
(2R)-1-(1-adamantylamino)-2-(4-bromophenyl)propan-2-ol has a molecular weight of 364.33 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1-adamantylamino)-2-(4-bromophenyl)propan-2-ol is sourced from PubChem (CID 7419649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).