3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol

C12H16BrNO — CID 65187659

IUPAC3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol
SMILESNCC(c1cccc(Br)c1)C(O)C1CC1
InChIInChI=1S/C12H16BrNO/c13-10-3-1-2-9(6-10)11(7-14)12(15)8-4-5-8/h1-3,6,8,11-12,15H,4-5,7,14H2
InChIKeyAMRUDVJBEGTGJY-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.26
Rot. Bonds4

About 3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol

3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol (PubChem CID 65187659) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol
PubChem CID65187659
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol
SMILESNCC(c1cccc(Br)c1)C(O)C1CC1
InChIInChI=1S/C12H16BrNO/c13-10-3-1-2-9(6-10)11(7-14)12(15)8-4-5-8/h1-3,6,8,11-12,15H,4-5,7,14H2
InChIKeyAMRUDVJBEGTGJY-UHFFFAOYSA-N
XLogP2.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(3-bromophenyl)-1-(2-methylcyclopropyl)propan-1-ol
CID 65187919
3-amino-2-(4-bromophenyl)-1-cyclopropylpropan-1-ol
CID 65186501
3-amino-2-(3-bromophenyl)-1-(2,6-dichlorophenyl)propan-1-ol
CID 65188028
3-amino-2-(3-bromophenyl)-1-(2,6-difluorophenyl)propan-1-ol
CID 65188287
2-(3-bromophenyl)-2-(thian-4-yl)ethanamine
CID 83975336
1-amino-2-(3-bromophenyl)-5,5-dimethylhexan-3-ol
CID 65188289
1-amino-2-(3-bromophenyl)-4-methylhexan-3-ol
CID 65187712
(3-bromophenyl)-cyclopropylmethanamine;hydrochloride
CID 166600425
4-amino-3-(3-bromophenyl)-1-(3-ethoxycyclobutyl)butan-2-ol
CID 103167216
3-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)propan-1-ol
CID 65188524
3-amino-1-(4-bromo-2-chlorophenyl)-2-(3-bromophenyl)propan-1-ol
CID 65187815
1-(3-bromophenyl)-2-cyclobutylethanol
CID 65457872

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol?
The IUPAC name of 3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol (CID 65187659) is 3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol.
What is the SMILES notation for 3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol?
The canonical SMILES for 3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol is NCC(c1cccc(Br)c1)C(O)C1CC1.
What is the InChIKey of 3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol?
The InChIKey is AMRUDVJBEGTGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-10-3-1-2-9(6-10)11(7-14)12(15)8-4-5-8/h1-3,6,8,11-12,15H,4-5,7,14H2.
What are the key properties of 3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol?
3-amino-2-(3-bromophenyl)-1-cyclopropylpropan-1-ol has a molecular weight of 270.17 g/mol, XLogP of 2.26, 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-cyclopropylpropan-1-ol is sourced from PubChem (CID 65187659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).