1-(3-bromophenyl)cyclopropan-1-amine

C9H10BrN — CID 11127564

IUPAC1-(3-bromophenyl)cyclopropan-1-amine
SMILESNC1(c2cccc(Br)c2)CC1
InChIInChI=1S/C9H10BrN/c10-8-3-1-2-7(6-8)9(11)4-5-9/h1-3,6H,4-5,11H2
InChIKeyBOEYJHQOBAKCJT-UHFFFAOYSA-N
MW212.09 g/mol
LogP2.40
Rot. Bonds1

About 1-(3-bromophenyl)cyclopropan-1-amine

1-(3-bromophenyl)cyclopropan-1-amine (PubChem CID 11127564) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 1-(3-bromophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)cyclopropan-1-amine
PubChem CID11127564
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name1-(3-bromophenyl)cyclopropan-1-amine
SMILESNC1(c2cccc(Br)c2)CC1
InChIInChI=1S/C9H10BrN/c10-8-3-1-2-7(6-8)9(11)4-5-9/h1-3,6H,4-5,11H2
InChIKeyBOEYJHQOBAKCJT-UHFFFAOYSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine
CID 115051018
3-(1-aminocyclopropyl)phenol
CID 55296554
1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride
CID 53256538
diamino-[1-(3-bromophenyl)cyclopropyl]methanol
CID 123168907
3-(1-aminocyclopropyl)benzaldehyde
CID 55296050
1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene
CID 86277431
1-(3-propan-2-ylphenyl)cyclopropan-1-amine
CID 55268959
4-(3-bromophenyl)-1-azabicyclo[2.2.2]octane
CID 115049492
[2-(3-bromophenyl)azetidin-2-yl]methanamine
CID 115059263
1-[3-(2-methoxypropan-2-yl)phenyl]cyclopropan-1-amine
CID 117112366
3-(1-aminocyclopropyl)benzenesulfonamide
CID 70895936
1-(3-bromophenyl)-N-methylcyclopropan-1-amine;hydrochloride
CID 175203393

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)cyclopropan-1-amine?
The IUPAC name of 1-(3-bromophenyl)cyclopropan-1-amine (CID 11127564) is 1-(3-bromophenyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)cyclopropan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)cyclopropan-1-amine is NC1(c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)cyclopropan-1-amine?
The InChIKey is BOEYJHQOBAKCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c10-8-3-1-2-7(6-8)9(11)4-5-9/h1-3,6H,4-5,11H2.
What are the key properties of 1-(3-bromophenyl)cyclopropan-1-amine?
1-(3-bromophenyl)cyclopropan-1-amine has a molecular weight of 212.09 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)cyclopropan-1-amine is sourced from PubChem (CID 11127564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).