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

C13H20N2O — CID 62976073

IUPAC2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol
SMILESCN(CCNCc1ccccc1O)C1CC1
InChIInChI=1S/C13H20N2O/c1-15(12-6-7-12)9-8-14-10-11-4-2-3-5-13(11)16/h2-5,12,14,16H,6-10H2,1H3
InChIKeyGAQUGFQENBKHCG-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.58
Rot. Bonds6

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

2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol (PubChem CID 62976073) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol
PubChem CID62976073
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol
SMILESCN(CCNCc1ccccc1O)C1CC1
InChIInChI=1S/C13H20N2O/c1-15(12-6-7-12)9-8-14-10-11-4-2-3-5-13(11)16/h2-5,12,14,16H,6-10H2,1H3
InChIKeyGAQUGFQENBKHCG-UHFFFAOYSA-N
XLogP1.58
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.58
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-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 63314661
N'-cyclopropyl-N'-methyl-N-(naphthalen-1-ylmethyl)ethane-1,2-diamine
CID 62975885
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]-4-fluorophenol
CID 107694443
2-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]-6-methylphenol
CID 112554689
2-chloro-6-[[2-[cyclopentyl(methyl)amino]ethylamino]methyl]phenol
CID 112554690
2-[[[4-[(2-hydroxyphenyl)methyl-methylamino]cyclohexyl]-methylamino]methyl]phenol
CID 118815979
N'-cyclopropyl-N-(2,3-dihydro-1H-indol-7-ylmethyl)-N'-methylethane-1,2-diamine
CID 80649056
N'-cyclopentyl-N-[(2,3-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 63318484
N'-cyclopropyl-N-[(4-ethylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 62977559
N-(1-benzofuran-3-ylmethyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 80701649
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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol?
The IUPAC name of 2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol (CID 62976073) is 2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol.
What is the SMILES notation for 2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol?
The canonical SMILES for 2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol is CN(CCNCc1ccccc1O)C1CC1.
What is the InChIKey of 2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol?
The InChIKey is GAQUGFQENBKHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15(12-6-7-12)9-8-14-10-11-4-2-3-5-13(11)16/h2-5,12,14,16H,6-10H2,1H3.
What are the key properties of 2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol?
2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol has a molecular weight of 220.32 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopropyl(methyl)amino]ethylamino]methyl]phenol is sourced from PubChem (CID 62976073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).