N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline

C13H19ClN2 — CID 65385077

IUPACN-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline
SMILESCC1CCC(CN)(Nc2cccc(Cl)c2)C1
InChIInChI=1S/C13H19ClN2/c1-10-5-6-13(8-10,9-15)16-12-4-2-3-11(14)7-12/h2-4,7,10,16H,5-6,8-9,15H2,1H3
InChIKeyNLPJUVLAXLEFLC-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.27
Rot. Bonds3

About N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline

N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline (PubChem CID 65385077) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline
PubChem CID65385077
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC NameN-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline
SMILESCC1CCC(CN)(Nc2cccc(Cl)c2)C1
InChIInChI=1S/C13H19ClN2/c1-10-5-6-13(8-10,9-15)16-12-4-2-3-11(14)7-12/h2-4,7,10,16H,5-6,8-9,15H2,1H3
InChIKeyNLPJUVLAXLEFLC-UHFFFAOYSA-N
XLogP3.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline (CID 65385077) is N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline is CC1CCC(CN)(Nc2cccc(Cl)c2)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline?
The InChIKey is NLPJUVLAXLEFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-5-6-13(8-10,9-15)16-12-4-2-3-11(14)7-12/h2-4,7,10,16H,5-6,8-9,15H2,1H3.
What are the key properties of N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline?
N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline has a molecular weight of 238.76 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline is sourced from PubChem (CID 65385077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).