2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol

C16H26N2O — CID 112554689

IUPAC2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol
SMILESCc1cccc(CNCCN(C)C2CCCC2)c1O
InChIInChI=1S/C16H26N2O/c1-13-6-5-7-14(16(13)19)12-17-10-11-18(2)15-8-3-4-9-15/h5-7,15,17,19H,3-4,8-12H2,1-2H3
InChIKeyRZHYCFHNESWJFP-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.66
Rot. Bonds6

About 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol

2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol (PubChem CID 112554689) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol
PubChem CID112554689
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol
SMILESCc1cccc(CNCCN(C)C2CCCC2)c1O
InChIInChI=1S/C16H26N2O/c1-13-6-5-7-14(16(13)19)12-17-10-11-18(2)15-8-3-4-9-15/h5-7,15,17,19H,3-4,8-12H2,1-2H3
InChIKeyRZHYCFHNESWJFP-UHFFFAOYSA-N
XLogP2.66
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol 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

2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 112554690
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 63314661
2-[(2-cyclobutylethylamino)methyl]-6-methylphenol
CID 115908380
2-[(2-cyclopentylethylamino)methyl]-6-methylphenol
CID 112554008
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol
CID 62976073
N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 63318484
N'-cyclopentyl-N'-methyl-N-(quinolin-8-ylmethyl)ethane-1,2-diamine
CID 63314495
N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 62975885
2-[[[(1R,2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]cyclohexyl]amino]methyl]-6-methylphenol
CID 90329687
2-(butylaminomethyl)-6-methylphenol
CID 82669937
2-methyl-6-[[4-[methyl(propan-2-yl)amino]butylamino]methyl]phenol
CID 112554384
N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 80701649

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol?
The IUPAC name of 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol (CID 112554689) is 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol.
What is the SMILES notation for 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol?
The canonical SMILES for 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol is Cc1cccc(CNCCN(C)C2CCCC2)c1O.
What is the InChIKey of 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol?
The InChIKey is RZHYCFHNESWJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-6-5-7-14(16(13)19)12-17-10-11-18(2)15-8-3-4-9-15/h5-7,15,17,19H,3-4,8-12H2,1-2H3.
What are the key properties of 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol?
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol has a molecular weight of 262.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol is sourced from PubChem (CID 112554689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).