2-(aminomethyl)-4-cyclopentyloxyaniline

C12H18N2O — CID 82507186

IUPAC2-(aminomethyl)-4-cyclopentyloxyaniline
SMILESNCc1cc(OC2CCCC2)ccc1N
InChIInChI=1S/C12H18N2O/c13-8-9-7-11(5-6-12(9)14)15-10-3-1-2-4-10/h5-7,10H,1-4,8,13-14H2
InChIKeyOIISAYRSOKBEDS-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.05
Rot. Bonds3

About 2-(aminomethyl)-4-cyclopentyloxyaniline

2-(aminomethyl)-4-cyclopentyloxyaniline (PubChem CID 82507186) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(aminomethyl)-4-cyclopentyloxyaniline.

Molecular Properties

Compound Name2-(aminomethyl)-4-cyclopentyloxyaniline
PubChem CID82507186
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(aminomethyl)-4-cyclopentyloxyaniline
SMILESNCc1cc(OC2CCCC2)ccc1N
InChIInChI=1S/C12H18N2O/c13-8-9-7-11(5-6-12(9)14)15-10-3-1-2-4-10/h5-7,10H,1-4,8,13-14H2
InChIKeyOIISAYRSOKBEDS-UHFFFAOYSA-N
XLogP2.05
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-cyclobutyloxy-2-ethoxyaniline
CID 63677607
1-(2-amino-5-cyclohexyloxyphenyl)ethanone
CID 113433081
2-(aminomethyl)-4-cyclobutyloxy-5-fluoroaniline
CID 82508066
ethyl 2-amino-5-cyclohexyloxybenzoate
CID 61312279
2-amino-4-cyclopentyloxybenzenesulfonamide
CID 79466823
4-(4,4-dimethylcyclohexyl)oxybenzene-1,2-diamine
CID 106748575
(5-bromo-2-cyclopentyloxyphenyl)methanamine
CID 43125696
[5-(4-cyclopentyloxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 82483490
2-[2-amino-5-(oxetan-3-yloxy)phenyl]acetonitrile
CID 102625001
2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155896532
(2S,3R,4R,5S,6R)-2-[4-amino-3-[(4-cyclohexyloxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89261022
[3-(4-cyclopentyloxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 82483039

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-cyclopentyloxyaniline?
The IUPAC name of 2-(aminomethyl)-4-cyclopentyloxyaniline (CID 82507186) is 2-(aminomethyl)-4-cyclopentyloxyaniline.
What is the SMILES notation for 2-(aminomethyl)-4-cyclopentyloxyaniline?
The canonical SMILES for 2-(aminomethyl)-4-cyclopentyloxyaniline is NCc1cc(OC2CCCC2)ccc1N.
What is the InChIKey of 2-(aminomethyl)-4-cyclopentyloxyaniline?
The InChIKey is OIISAYRSOKBEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-8-9-7-11(5-6-12(9)14)15-10-3-1-2-4-10/h5-7,10H,1-4,8,13-14H2.
What are the key properties of 2-(aminomethyl)-4-cyclopentyloxyaniline?
2-(aminomethyl)-4-cyclopentyloxyaniline has a molecular weight of 206.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-cyclopentyloxyaniline is sourced from PubChem (CID 82507186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).