2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol

C16H26N2O — CID 104582175

IUPAC2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol
SMILESCCN(CCNC(C)c1cc(C)ccc1O)C1CC1
InChIInChI=1S/C16H26N2O/c1-4-18(14-6-7-14)10-9-17-13(3)15-11-12(2)5-8-16(15)19/h5,8,11,13-14,17,19H,4,6-7,9-10H2,1-3H3
InChIKeyWRFSYFDKNDZEOK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.84
Rot. Bonds7

About 2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol

2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol (PubChem CID 104582175) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol.

Molecular Properties

Compound Name2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol
PubChem CID104582175
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol
SMILESCCN(CCNC(C)c1cc(C)ccc1O)C1CC1
InChIInChI=1S/C16H26N2O/c1-4-18(14-6-7-14)10-9-17-13(3)15-11-12(2)5-8-16(15)19/h5,8,11,13-14,17,19H,4,6-7,9-10H2,1-3H3
InChIKeyWRFSYFDKNDZEOK-UHFFFAOYSA-N
XLogP2.84
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-cyclopentyloxyethylamino)ethyl]-4-methylphenol
CID 55259523
2-[1-(2-ethoxyethylamino)ethyl]-4-methylphenol
CID 43590909
2-[1-(2-butoxyethylamino)ethyl]-4-methylphenol
CID 61169320
4-methyl-2-[1-[3-[methyl(propan-2-yl)amino]propylamino]ethyl]phenol
CID 104581681
N-[1-(4-chlorophenyl)ethyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 113261023
4-methyl-2-[1-(thian-4-ylmethylamino)ethyl]phenol
CID 104582454
N'-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103910587
N'-cyclopropyl-N'-ethyl-N-[1-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 103780486
4-[3-[2-[cyclopropyl(ethyl)amino]ethylamino]butyl]phenol
CID 104861928
4-methyl-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
CID 82985965
2-[1-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]ethyl]-4-methylphenol
CID 65115152
N'-cyclopropyl-N'-ethyl-N-[1-(furan-3-yl)ethyl]ethane-1,2-diamine
CID 115716023

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol?
The IUPAC name of 2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol (CID 104582175) is 2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol.
What is the SMILES notation for 2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol?
The canonical SMILES for 2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol is CCN(CCNC(C)c1cc(C)ccc1O)C1CC1.
What is the InChIKey of 2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol?
The InChIKey is WRFSYFDKNDZEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-18(14-6-7-14)10-9-17-13(3)15-11-12(2)5-8-16(15)19/h5,8,11,13-14,17,19H,4,6-7,9-10H2,1-3H3.
What are the key properties of 2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol?
2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol has a molecular weight of 262.40 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[cyclopropyl(ethyl)amino]ethylamino]ethyl]-4-methylphenol is sourced from PubChem (CID 104582175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).