3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol

C13H18BrNO — CID 65187919

IUPAC3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol
SMILESCC1CC1C(O)C(CN)c1cccc(Br)c1
InChIInChI=1S/C13H18BrNO/c1-8-5-11(8)13(16)12(7-15)9-3-2-4-10(14)6-9/h2-4,6,8,11-13,16H,5,7,15H2,1H3
InChIKeyDFINZCVWURMUSU-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.51
Rot. Bonds4

About 3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol

3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol (PubChem CID 65187919) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol
PubChem CID65187919
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol
SMILESCC1CC1C(O)C(CN)c1cccc(Br)c1
InChIInChI=1S/C13H18BrNO/c1-8-5-11(8)13(16)12(7-15)9-3-2-4-10(14)6-9/h2-4,6,8,11-13,16H,5,7,15H2,1H3
InChIKeyDFINZCVWURMUSU-UHFFFAOYSA-N
XLogP2.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol
CID 65187659
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CID 103167216
1-amino-2-(3-bromophenyl)-5,5-dimethylhexan-3-ol
CID 65188289
1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol
CID 65187712
3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol
CID 65188287
3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol
CID 65188028
3-amino-2-(3-bromophenyl)-1-(2,3-dimethylphenyl)propan-1-ol
CID 65187606
3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol
CID 65187873
3-amino-2-(3-bromophenyl)-1-(3-chloro-2-methylphenyl)propan-1-ol
CID 107100509
3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
CID 65187815
3-amino-2-(3-bromophenyl)-1-(2-fluoro-5-methylphenyl)propan-1-ol
CID 65188336
3-amino-2-(3-bromophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol
CID 65187866

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol (CID 65187919) is 3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol is CC1CC1C(O)C(CN)c1cccc(Br)c1.
What is the InChIKey of 3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol?
The InChIKey is DFINZCVWURMUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-8-5-11(8)13(16)12(7-15)9-3-2-4-10(14)6-9/h2-4,6,8,11-13,16H,5,7,15H2,1H3.
What are the key properties of 3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol?
3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol has a molecular weight of 284.20 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol is sourced from PubChem (CID 65187919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).