2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol

C15H24N2O — CID 63314661

IUPAC2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
SMILESCN(CCNCc1ccccc1O)C1CCCC1
InChIInChI=1S/C15H24N2O/c1-17(14-7-3-4-8-14)11-10-16-12-13-6-2-5-9-15(13)18/h2,5-6,9,14,16,18H,3-4,7-8,10-12H2,1H3
InChIKeyRVGDBJTXLNZWPS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.36
Rot. Bonds6

About 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol

2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol (PubChem CID 63314661) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
PubChem CID63314661
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
SMILESCN(CCNCc1ccccc1O)C1CCCC1
InChIInChI=1S/C15H24N2O/c1-17(14-7-3-4-8-14)11-10-16-12-13-6-2-5-9-15(13)18/h2,5-6,9,14,16,18H,3-4,7-8,10-12H2,1H3
InChIKeyRVGDBJTXLNZWPS-UHFFFAOYSA-N
XLogP2.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.36
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'}

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Related Compounds

2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol
CID 62976073
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol
CID 112554689
2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 112554690
N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 63318484
N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 62975885
N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 80701649
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol
CID 107694443
N'-cyclopentyl-N'-methyl-N-(quinolin-8-ylmethyl)ethane-1,2-diamine
CID 63314495
4-chloro-2-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]phenol
CID 60981639
N'-cyclopentyl-N'-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 119127207
N-methyl-N-[[2-(propylaminomethyl)phenyl]methyl]cyclohexanamine
CID 62422996
5-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-2-methoxyphenol
CID 63315050

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol?
The IUPAC name of 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol (CID 63314661) is 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol.
What is the SMILES notation for 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol?
The canonical SMILES for 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol is CN(CCNCc1ccccc1O)C1CCCC1.
What is the InChIKey of 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol?
The InChIKey is RVGDBJTXLNZWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-17(14-7-3-4-8-14)11-10-16-12-13-6-2-5-9-15(13)18/h2,5-6,9,14,16,18H,3-4,7-8,10-12H2,1H3.
What are the key properties of 2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol?
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol has a molecular weight of 248.37 g/mol, XLogP of 2.36, 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]phenol is sourced from PubChem (CID 63314661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).