(2-bromophenyl)-(1-propylcyclopropyl)methanamine

C13H18BrN — CID 82379529

IUPAC(2-bromophenyl)-(1-propylcyclopropyl)methanamine
SMILESCCCC1(C(N)c2ccccc2Br)CC1
InChIInChI=1S/C13H18BrN/c1-2-7-13(8-9-13)12(15)10-5-3-4-6-11(10)14/h3-6,12H,2,7-9,15H2,1H3
InChIKeyNSXASHCEKGIHAN-UHFFFAOYSA-N
MW268.20 g/mol
LogP4.03
Rot. Bonds4

About (2-bromophenyl)-(1-propylcyclopropyl)methanamine

(2-bromophenyl)-(1-propylcyclopropyl)methanamine (PubChem CID 82379529) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is (2-bromophenyl)-(1-propylcyclopropyl)methanamine.

Molecular Properties

Compound Name(2-bromophenyl)-(1-propylcyclopropyl)methanamine
PubChem CID82379529
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC Name(2-bromophenyl)-(1-propylcyclopropyl)methanamine
SMILESCCCC1(C(N)c2ccccc2Br)CC1
InChIInChI=1S/C13H18BrN/c1-2-7-13(8-9-13)12(15)10-5-3-4-6-11(10)14/h3-6,12H,2,7-9,15H2,1H3
InChIKeyNSXASHCEKGIHAN-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2-bromophenyl)-(1-propylcyclopropyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(2-bromophenyl)pentan-1-amine
CID 171198050
[1-(aminomethyl)cyclopropyl]-(2-methylphenyl)methanamine
CID 116943451
1-(2-bromophenyl)hexan-1-amine
CID 62604682
1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine
CID 63406143
(2-bromophenyl)methanediamine
CID 22286781
1-[1-(2-bromophenyl)ethyl]cyclopropan-1-amine
CID 83693001
1-[1-(aminomethyl)cyclobutyl]-1-(2-bromophenyl)-N-methylmethanamine
CID 116958838
2-(2-bromophenyl)pentan-1-amine
CID 79449309
N-[1-(2-bromophenyl)ethyl]-N-propylacetamide
CID 60778873
1-[(2-bromophenyl)-(dimethylamino)methyl]cyclopropan-1-amine
CID 84738643
2-(1-aminocyclopropyl)-1-(2-bromophenyl)ethanol
CID 82380657
2-amino-3-(2-bromophenyl)butan-1-ol
CID 83912818

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(1-propylcyclopropyl)methanamine?
The IUPAC name of (2-bromophenyl)-(1-propylcyclopropyl)methanamine (CID 82379529) is (2-bromophenyl)-(1-propylcyclopropyl)methanamine.
What is the SMILES notation for (2-bromophenyl)-(1-propylcyclopropyl)methanamine?
The canonical SMILES for (2-bromophenyl)-(1-propylcyclopropyl)methanamine is CCCC1(C(N)c2ccccc2Br)CC1.
What is the InChIKey of (2-bromophenyl)-(1-propylcyclopropyl)methanamine?
The InChIKey is NSXASHCEKGIHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-2-7-13(8-9-13)12(15)10-5-3-4-6-11(10)14/h3-6,12H,2,7-9,15H2,1H3.
What are the key properties of (2-bromophenyl)-(1-propylcyclopropyl)methanamine?
(2-bromophenyl)-(1-propylcyclopropyl)methanamine has a molecular weight of 268.20 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(1-propylcyclopropyl)methanamine is sourced from PubChem (CID 82379529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).