N-[1-(aminomethyl)cyclopentyl]-2-bromoaniline

C12H17BrN2 — CID 65384494

IUPACN-[1-(aminomethyl)cyclopentyl]-2-bromoaniline
SMILESNCC1(Nc2ccccc2Br)CCCC1
InChIInChI=1S/C12H17BrN2/c13-10-5-1-2-6-11(10)15-12(9-14)7-3-4-8-12/h1-2,5-6,15H,3-4,7-9,14H2
InChIKeyMSRMMEFLEIEMMM-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.13
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-2-bromoaniline

N-[1-(aminomethyl)cyclopentyl]-2-bromoaniline (PubChem CID 65384494) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-bromoaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-bromoaniline
PubChem CID65384494
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-bromoaniline
SMILESNCC1(Nc2ccccc2Br)CCCC1
InChIInChI=1S/C12H17BrN2/c13-10-5-1-2-6-11(10)15-12(9-14)7-3-4-8-12/h1-2,5-6,15H,3-4,7-9,14H2
InChIKeyMSRMMEFLEIEMMM-UHFFFAOYSA-N
XLogP3.13
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-bromoaniline?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-bromoaniline (CID 65384494) is N-[1-(aminomethyl)cyclopentyl]-2-bromoaniline.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-bromoaniline?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-bromoaniline is NCC1(Nc2ccccc2Br)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-bromoaniline?
The InChIKey is MSRMMEFLEIEMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c13-10-5-1-2-6-11(10)15-12(9-14)7-3-4-8-12/h1-2,5-6,15H,3-4,7-9,14H2.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-bromoaniline?
N-[1-(aminomethyl)cyclopentyl]-2-bromoaniline has a molecular weight of 269.19 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-bromoaniline is sourced from PubChem (CID 65384494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).