(2-bromo-3-iodophenyl)-cyclopropylmethanamine

C10H11BrIN — CID 130043777

IUPAC(2-bromo-3-iodophenyl)-cyclopropylmethanamine
SMILESNC(c1cccc(I)c1Br)C1CC1
InChIInChI=1S/C10H11BrIN/c11-9-7(2-1-3-8(9)12)10(13)6-4-5-6/h1-3,6,10H,4-5,13H2
InChIKeyDXNGURLPHXUVEE-UHFFFAOYSA-N
MW352.01 g/mol
LogP3.46
Rot. Bonds2

About (2-bromo-3-iodophenyl)-cyclopropylmethanamine

(2-bromo-3-iodophenyl)-cyclopropylmethanamine (PubChem CID 130043777) has the molecular formula C10H11BrIN and a molecular weight of 352.01 g/mol. Its IUPAC name is (2-bromo-3-iodophenyl)-cyclopropylmethanamine.

Molecular Properties

Compound Name(2-bromo-3-iodophenyl)-cyclopropylmethanamine
PubChem CID130043777
Molecular FormulaC10H11BrIN
Molecular Weight352.01 g/mol
Exact Mass350.91
IUPAC Name(2-bromo-3-iodophenyl)-cyclopropylmethanamine
SMILESNC(c1cccc(I)c1Br)C1CC1
InChIInChI=1S/C10H11BrIN/c11-9-7(2-1-3-8(9)12)10(13)6-4-5-6/h1-3,6,10H,4-5,13H2
InChIKeyDXNGURLPHXUVEE-UHFFFAOYSA-N
XLogP3.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.01
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

cyclopropyl-(2-iodophenyl)methanamine
CID 112684977
cyclohexyl-(2-iodophenyl)methanamine
CID 112630996
cycloheptyl-(2-iodophenyl)methanamine
CID 105027819
(R)-(2-bromo-3-methylphenyl)-cyclobutylmethanamine
CID 130714890
(R)-(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 131483839
(2-bromo-3-fluorophenyl)-cyclopentylmethanamine
CID 112631047
(R)-(2-bromo-3-pyridinyl)-cyclopropylmethanamine
CID 124518533
3-[amino(cyclopropyl)methyl]benzene-1,2-diamine
CID 55282374
2-[(S)-amino(cyclopropyl)methyl]aniline
CID 130654214
cyclopropyl-(2,3-dichlorophenyl)methanamine
CID 62789310
(R)-cyclopropyl-(2,3-dimethylphenyl)methanamine
CID 55278882
(2-bromo-3,4-difluorophenyl)-(4-methylcyclohexyl)methanamine
CID 107538638

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-iodophenyl)-cyclopropylmethanamine?
The IUPAC name of (2-bromo-3-iodophenyl)-cyclopropylmethanamine (CID 130043777) is (2-bromo-3-iodophenyl)-cyclopropylmethanamine.
What is the SMILES notation for (2-bromo-3-iodophenyl)-cyclopropylmethanamine?
The canonical SMILES for (2-bromo-3-iodophenyl)-cyclopropylmethanamine is NC(c1cccc(I)c1Br)C1CC1.
What is the InChIKey of (2-bromo-3-iodophenyl)-cyclopropylmethanamine?
The InChIKey is DXNGURLPHXUVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrIN/c11-9-7(2-1-3-8(9)12)10(13)6-4-5-6/h1-3,6,10H,4-5,13H2.
What are the key properties of (2-bromo-3-iodophenyl)-cyclopropylmethanamine?
(2-bromo-3-iodophenyl)-cyclopropylmethanamine has a molecular weight of 352.01 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-iodophenyl)-cyclopropylmethanamine is sourced from PubChem (CID 130043777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).