5-[cyclopropylmethyl(ethyl)amino]-2-[1-(methylamino)ethyl]phenol

C15H24N2O — CID 79603652

IUPAC5-[cyclopropylmethyl(ethyl)amino]-2-[1-(methylamino)ethyl]phenol
SMILESCCN(CC1CC1)c1ccc(C(C)NC)c(O)c1
InChIInChI=1S/C15H24N2O/c1-4-17(10-12-5-6-12)13-7-8-14(11(2)16-3)15(18)9-13/h7-9,11-12,16,18H,4-6,10H2,1-3H3
InChIKeyAJKQDNJUYMDHMW-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.91
Rot. Bonds6

About 5-[cyclopropylmethyl(ethyl)amino]-2-[1-(methylamino)ethyl]phenol

5-[cyclopropylmethyl(ethyl)amino]-2-[1-(methylamino)ethyl]phenol (PubChem CID 79603652) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-[cyclopropylmethyl(ethyl)amino]-2-[1-(methylamino)ethyl]phenol.

Molecular Properties

Compound Name5-[cyclopropylmethyl(ethyl)amino]-2-[1-(methylamino)ethyl]phenol
PubChem CID79603652
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name5-[cyclopropylmethyl(ethyl)amino]-2-[1-(methylamino)ethyl]phenol
SMILESCCN(CC1CC1)c1ccc(C(C)NC)c(O)c1
InChIInChI=1S/C15H24N2O/c1-4-17(10-12-5-6-12)13-7-8-14(11(2)16-3)15(18)9-13/h7-9,11-12,16,18H,4-6,10H2,1-3H3
InChIKeyAJKQDNJUYMDHMW-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-[cyclopropylmethyl(propan-2-yl)amino]-2-[1-(methylamino)ethyl]phenol
CID 79603979
2-[(1S)-1-amino-2-cyclopropylethyl]-5-(diethylamino)phenol
CID 171217385
5-[cyclopropyl(ethyl)amino]-2-[1-(ethylamino)ethyl]phenol
CID 79600599
(1R)-1-[2-bromo-4-[cyclobutylmethyl(ethyl)amino]phenyl]ethanol
CID 114069882
1-[4-[cyclopropylmethyl(ethyl)amino]phenyl]ethanol
CID 63956428
2-[1-(ethylamino)ethyl]-5-[ethyl(2,2,2-trifluoroethyl)amino]phenol
CID 79603980
5-[cyclopentylmethyl(methyl)amino]-2-[1-(propylamino)ethyl]phenol
CID 79591221
2-[1-(methylamino)ethyl]-5-(N,3,5-trimethylanilino)phenol
CID 79590960
2-[(R)-amino(cyclopentyl)methyl]-5-(diethylamino)phenol;hydrochloride
CID 171197889
5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol
CID 79604002
5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol
CID 79603748
5-[(2-fluorophenyl)methyl-methylamino]-2-[1-(methylamino)ethyl]phenol
CID 79590474

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropylmethyl(ethyl)amino]-2-[1-(methylamino)ethyl]phenol?
The IUPAC name of 5-[cyclopropylmethyl(ethyl)amino]-2-[1-(methylamino)ethyl]phenol (CID 79603652) is 5-[cyclopropylmethyl(ethyl)amino]-2-[1-(methylamino)ethyl]phenol.
What is the SMILES notation for 5-[cyclopropylmethyl(ethyl)amino]-2-[1-(methylamino)ethyl]phenol?
The canonical SMILES for 5-[cyclopropylmethyl(ethyl)amino]-2-[1-(methylamino)ethyl]phenol is CCN(CC1CC1)c1ccc(C(C)NC)c(O)c1.
What is the InChIKey of 5-[cyclopropylmethyl(ethyl)amino]-2-[1-(methylamino)ethyl]phenol?
The InChIKey is AJKQDNJUYMDHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-17(10-12-5-6-12)13-7-8-14(11(2)16-3)15(18)9-13/h7-9,11-12,16,18H,4-6,10H2,1-3H3.
What are the key properties of 5-[cyclopropylmethyl(ethyl)amino]-2-[1-(methylamino)ethyl]phenol?
5-[cyclopropylmethyl(ethyl)amino]-2-[1-(methylamino)ethyl]phenol has a molecular weight of 248.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropylmethyl(ethyl)amino]-2-[1-(methylamino)ethyl]phenol is sourced from PubChem (CID 79603652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).