diamino-[1-(3-bromophenyl)cyclopropyl]methanol

C10H13BrN2O — CID 123168907

IUPACdiamino-[1-(3-bromophenyl)cyclopropyl]methanol
SMILESNC(N)(O)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C10H13BrN2O/c11-8-3-1-2-7(6-8)9(4-5-9)10(12,13)14/h1-3,6,14H,4-5,12-13H2
InChIKeyJCFOVGYRGUDILO-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.04
Rot. Bonds2

About diamino-[1-(3-bromophenyl)cyclopropyl]methanol

diamino-[1-(3-bromophenyl)cyclopropyl]methanol (PubChem CID 123168907) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is diamino-[1-(3-bromophenyl)cyclopropyl]methanol.

Molecular Properties

Compound Namediamino-[1-(3-bromophenyl)cyclopropyl]methanol
PubChem CID123168907
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Namediamino-[1-(3-bromophenyl)cyclopropyl]methanol
SMILESNC(N)(O)C1(c2cccc(Br)c2)CC1
InChIInChI=1S/C10H13BrN2O/c11-8-3-1-2-7(6-8)9(4-5-9)10(12,13)14/h1-3,6,14H,4-5,12-13H2
InChIKeyJCFOVGYRGUDILO-UHFFFAOYSA-N
XLogP1.04
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene
CID 86277431
1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
1-(3-bromophenyl)cyclobutane-1-carboxylic acid
CID 16769973
4-(3-bromophenyl)-1-azabicyclo[2.2.2]octane
CID 115049492
4-(3-bromophenyl)piperidine-4-carboxamide
CID 82307410
1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine
CID 115051018
[2-(3-bromophenyl)azetidin-2-yl]methanamine
CID 115059263
4-(3-bromophenyl)bicyclo[2.2.2]octane-1-carboxylic acid
CID 59610207
1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride
CID 175203393
methyl 2-amino-2-[1-(3-bromophenyl)cyclopropyl]acetate
CID 115052116
2-[[1-(3-bromophenyl)cyclobutyl]methyl]guanidine
CID 110918036
1-(3-bromophenyl)cyclohexane-1-carbohydrazide
CID 116844534

Frequently Asked Questions

What is the IUPAC name of diamino-[1-(3-bromophenyl)cyclopropyl]methanol?
The IUPAC name of diamino-[1-(3-bromophenyl)cyclopropyl]methanol (CID 123168907) is diamino-[1-(3-bromophenyl)cyclopropyl]methanol.
What is the SMILES notation for diamino-[1-(3-bromophenyl)cyclopropyl]methanol?
The canonical SMILES for diamino-[1-(3-bromophenyl)cyclopropyl]methanol is NC(N)(O)C1(c2cccc(Br)c2)CC1.
What is the InChIKey of diamino-[1-(3-bromophenyl)cyclopropyl]methanol?
The InChIKey is JCFOVGYRGUDILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c11-8-3-1-2-7(6-8)9(4-5-9)10(12,13)14/h1-3,6,14H,4-5,12-13H2.
What are the key properties of diamino-[1-(3-bromophenyl)cyclopropyl]methanol?
diamino-[1-(3-bromophenyl)cyclopropyl]methanol has a molecular weight of 257.13 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diamino-[1-(3-bromophenyl)cyclopropyl]methanol is sourced from PubChem (CID 123168907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).