N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2-bromophenyl)ethanamine

C13H19BrN2 — CID 115244360

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2-bromophenyl)ethanamine
SMILESNCC1(CNCCc2ccccc2Br)CC1
InChIInChI=1S/C13H19BrN2/c14-12-4-2-1-3-11(12)5-8-16-10-13(9-15)6-7-13/h1-4,16H,5-10,15H2
InChIKeyVJLKPFXURRAROP-UHFFFAOYSA-N
MW283.21 g/mol
LogP2.32
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2-bromophenyl)ethanamine

N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2-bromophenyl)ethanamine (PubChem CID 115244360) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2-bromophenyl)ethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2-bromophenyl)ethanamine
PubChem CID115244360
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2-bromophenyl)ethanamine
SMILESNCC1(CNCCc2ccccc2Br)CC1
InChIInChI=1S/C13H19BrN2/c14-12-4-2-1-3-11(12)5-8-16-10-13(9-15)6-7-13/h1-4,16H,5-10,15H2
InChIKeyVJLKPFXURRAROP-UHFFFAOYSA-N
XLogP2.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-bromophenyl)ethanamine
CID 115249596
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-pyridin-2-ylethanamine
CID 115245931
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-(2-methylphenyl)methanamine
CID 115244158
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 115249582
2-(2-bromophenyl)-N-(chloromethyl)ethanamine
CID 115263436
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine
CID 115244289
3-[[2-(2-bromophenyl)ethylamino]methyl]oxetane-3-carbonitrile
CID 115248180
N'-[2-(2-bromophenyl)ethyl]-N-methylmethanediamine
CID 115227263
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 115244287
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(2,4-difluorophenyl)ethanamine
CID 115245915
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5-ethyl-2-methoxyphenyl)ethanamine
CID 115244307
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 115244272

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2-bromophenyl)ethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2-bromophenyl)ethanamine (CID 115244360) is N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2-bromophenyl)ethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2-bromophenyl)ethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2-bromophenyl)ethanamine is NCC1(CNCCc2ccccc2Br)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2-bromophenyl)ethanamine?
The InChIKey is VJLKPFXURRAROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c14-12-4-2-1-3-11(12)5-8-16-10-13(9-15)6-7-13/h1-4,16H,5-10,15H2.
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2-bromophenyl)ethanamine?
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2-bromophenyl)ethanamine has a molecular weight of 283.21 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2-bromophenyl)ethanamine is sourced from PubChem (CID 115244360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).