2-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-4-methoxyphenol

C15H24N2O2 — CID 103922892

IUPAC2-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNCC(C)N(C)C2CC2)c1
InChIInChI=1S/C15H24N2O2/c1-11(17(2)13-4-5-13)9-16-10-12-8-14(19-3)6-7-15(12)18/h6-8,11,13,16,18H,4-5,9-10H2,1-3H3
InChIKeyMBEFIDGKQHWUDE-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.97
Rot. Bonds7

About 2-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-4-methoxyphenol

2-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-4-methoxyphenol (PubChem CID 103922892) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-4-methoxyphenol
PubChem CID103922892
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNCC(C)N(C)C2CC2)c1
InChIInChI=1S/C15H24N2O2/c1-11(17(2)13-4-5-13)9-16-10-12-8-14(19-3)6-7-15(12)18/h6-8,11,13,16,18H,4-5,9-10H2,1-3H3
InChIKeyMBEFIDGKQHWUDE-UHFFFAOYSA-N
XLogP1.97
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
2-[(3-hydroxybutylamino)methyl]-4-methoxyphenol
CID 64929896
4-methoxy-2-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107411546
4-methoxy-2-[[(1-methylcyclohexyl)methylamino]methyl]phenol
CID 103923735
2-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]-4-methoxyphenol
CID 43751533
4-methoxy-2-[(pentan-3-ylamino)methyl]phenol
CID 28611091
2-[(2-ethoxyethylamino)methyl]-4-methoxyphenol
CID 43590666
4-methoxy-2-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]phenol
CID 79353071
2-[(cyclopentyloxyamino)methyl]-4-methoxyphenol
CID 83229458
4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977656
2-[[(2-cyclopropyl-2-hydroxyethyl)amino]methyl]-5-methoxyphenol
CID 63298601
5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
CID 82986264

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-4-methoxyphenol?
The IUPAC name of 2-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-4-methoxyphenol (CID 103922892) is 2-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-4-methoxyphenol?
The canonical SMILES for 2-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-4-methoxyphenol is COc1ccc(O)c(CNCC(C)N(C)C2CC2)c1.
What is the InChIKey of 2-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-4-methoxyphenol?
The InChIKey is MBEFIDGKQHWUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(17(2)13-4-5-13)9-16-10-12-8-14(19-3)6-7-15(12)18/h6-8,11,13,16,18H,4-5,9-10H2,1-3H3.
What are the key properties of 2-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-4-methoxyphenol?
2-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-4-methoxyphenol has a molecular weight of 264.37 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-4-methoxyphenol is sourced from PubChem (CID 103922892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).