4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol

C13H20N2O — CID 63955917

IUPAC4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol
SMILESCCN(Cc1cc(N)ccc1O)CC1CC1
InChIInChI=1S/C13H20N2O/c1-2-15(8-10-3-4-10)9-11-7-12(14)5-6-13(11)16/h5-7,10,16H,2-4,8-9,14H2,1H3
InChIKeyRRNXXLFHMRDUEA-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.21
Rot. Bonds5

About 4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol

4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol (PubChem CID 63955917) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol
PubChem CID63955917
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol
SMILESCCN(Cc1cc(N)ccc1O)CC1CC1
InChIInChI=1S/C13H20N2O/c1-2-15(8-10-3-4-10)9-11-7-12(14)5-6-13(11)16/h5-7,10,16H,2-4,8-9,14H2,1H3
InChIKeyRRNXXLFHMRDUEA-UHFFFAOYSA-N
XLogP2.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[cyclopropylmethyl(ethyl)amino]methyl]-4-ethoxyaniline
CID 63955929
4-amino-2-[[3-(diethylamino)propyl-ethylamino]methyl]phenol
CID 102991610
4-chloro-3-[[cyclopropylmethyl(ethyl)amino]methyl]phenol
CID 139020937
2-[[cyclopropylmethyl(ethyl)amino]methyl]-5-methyl-4-propan-2-ylphenol
CID 86940060
4-[[cyclohexylmethyl(ethyl)amino]methyl]aniline
CID 43383869
4-[[cyclopropylmethyl(ethyl)amino]methyl]-3-methylbenzenecarbothioamide
CID 114481954
1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
CID 63954700
3-amino-4-[[cyclobutylmethyl(ethyl)amino]methyl]benzamide
CID 107397403
4-[[cyclopropylmethyl(ethyl)amino]methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482614
2-chloro-5-[[cyclopropylmethyl(ethyl)amino]methyl]aniline
CID 63956947
2-[[cyclopropylmethyl(ethyl)amino]methyl]benzoic acid
CID 63956833
2-[(5-amino-2-hydroxyphenyl)methyl-[2-[(5-amino-2-hydroxyphenyl)methyl-(carboxymethyl)amino]ethyl]amino]acetic acid
CID 19704517

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol?
The IUPAC name of 4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol (CID 63955917) is 4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol.
What is the SMILES notation for 4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol?
The canonical SMILES for 4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol is CCN(Cc1cc(N)ccc1O)CC1CC1.
What is the InChIKey of 4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol?
The InChIKey is RRNXXLFHMRDUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-15(8-10-3-4-10)9-11-7-12(14)5-6-13(11)16/h5-7,10,16H,2-4,8-9,14H2,1H3.
What are the key properties of 4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol?
4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol has a molecular weight of 220.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[cyclopropylmethyl(ethyl)amino]methyl]phenol is sourced from PubChem (CID 63955917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).