5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline

C14H22N2O — CID 62087722

IUPAC5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline
SMILESCOC1CCCC1NCc1ccc(C)c(N)c1
InChIInChI=1S/C14H22N2O/c1-10-6-7-11(8-12(10)15)9-16-13-4-3-5-14(13)17-2/h6-8,13-14,16H,3-5,9,15H2,1-2H3
InChIKeyRFLDRKRLMUDYIL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.23
Rot. Bonds4

About 5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline

5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline (PubChem CID 62087722) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline.

Molecular Properties

Compound Name5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline
PubChem CID62087722
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline
SMILESCOC1CCCC1NCc1ccc(C)c(N)c1
InChIInChI=1S/C14H22N2O/c1-10-6-7-11(8-12(10)15)9-16-13-4-3-5-14(13)17-2/h6-8,13-14,16H,3-5,9,15H2,1-2H3
InChIKeyRFLDRKRLMUDYIL-UHFFFAOYSA-N
XLogP2.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-2-methoxycyclopentan-1-amine
CID 63645558
2-methoxy-N-[(4-methyl-3-nitrophenyl)methyl]cyclopentan-1-amine
CID 62087311
2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43765239
2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol
CID 63045556
N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxycyclopentan-1-amine
CID 81144626
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-methoxycyclopentan-1-amine
CID 62087852
2-methoxy-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 60874496
N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 61401371
N-(furan-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 63002147
2-methyl-5-[[(3-methylcyclopentyl)amino]methyl]aniline
CID 114547247
3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid
CID 103248532
2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol
CID 112554340

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline?
The IUPAC name of 5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline (CID 62087722) is 5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline.
What is the SMILES notation for 5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline?
The canonical SMILES for 5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline is COC1CCCC1NCc1ccc(C)c(N)c1.
What is the InChIKey of 5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline?
The InChIKey is RFLDRKRLMUDYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-6-7-11(8-12(10)15)9-16-13-4-3-5-14(13)17-2/h6-8,13-14,16H,3-5,9,15H2,1-2H3.
What are the key properties of 5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline?
5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline has a molecular weight of 234.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methoxycyclopentyl)amino]methyl]-2-methylaniline is sourced from PubChem (CID 62087722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).