N-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline

C13H19BrN2 — CID 65376853

IUPACN-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline
SMILESCC1CCCC1(CN)Nc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2/c1-10-4-3-7-13(10,9-15)16-12-6-2-5-11(14)8-12/h2,5-6,8,10,16H,3-4,7,9,15H2,1H3
InChIKeyZWKMREYMAQNLLG-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.38
Rot. Bonds3

About N-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline

N-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline (PubChem CID 65376853) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline
PubChem CID65376853
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC NameN-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline
SMILESCC1CCCC1(CN)Nc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2/c1-10-4-3-7-13(10,9-15)16-12-6-2-5-11(14)8-12/h2,5-6,8,10,16H,3-4,7,9,15H2,1H3
InChIKeyZWKMREYMAQNLLG-UHFFFAOYSA-N
XLogP3.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline (CID 65376853) is N-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline is CC1CCCC1(CN)Nc1cccc(Br)c1.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline?
The InChIKey is ZWKMREYMAQNLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10-4-3-7-13(10,9-15)16-12-6-2-5-11(14)8-12/h2,5-6,8,10,16H,3-4,7,9,15H2,1H3.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline?
N-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline has a molecular weight of 283.21 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclopentyl]-3-bromoaniline is sourced from PubChem (CID 65376853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).