3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenol

C14H22N2O — CID 103648398

IUPAC3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenol
SMILESCC(CNCc1cccc(O)c1)N(C)C1CC1
InChIInChI=1S/C14H22N2O/c1-11(16(2)13-6-7-13)9-15-10-12-4-3-5-14(17)8-12/h3-5,8,11,13,15,17H,6-7,9-10H2,1-2H3
InChIKeyQZJIJCOHAYMLKI-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.96
Rot. Bonds6

About 3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenol

3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenol (PubChem CID 103648398) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenol
PubChem CID103648398
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenol
SMILESCC(CNCc1cccc(O)c1)N(C)C1CC1
InChIInChI=1S/C14H22N2O/c1-11(16(2)13-6-7-13)9-15-10-12-4-3-5-14(17)8-12/h3-5,8,11,13,15,17H,6-7,9-10H2,1-2H3
InChIKeyQZJIJCOHAYMLKI-UHFFFAOYSA-N
XLogP1.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-cyclopropylpropylamino)methyl]phenol
CID 115592725
2-N-cyclopropyl-1-N-[(3,4-difluorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 103648407
4-[3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenoxy]butanenitrile
CID 119123544
3-[(2-methylbutylamino)methyl]phenol
CID 62694321
3-[(2-methylpentylamino)methyl]phenol
CID 115905193
5-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-2-methoxybenzonitrile
CID 103699184
2-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]-4-methoxyphenol
CID 103922892
3-(propylaminomethyl)phenol
CID 10725714
N-[2-[cyclopropyl(methyl)amino]propyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106094104
2-hydroxy-3-[(3-hydroxyphenyl)methylamino]propanamide
CID 106170564
3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]phenol
CID 28622087
propane;3-[(propan-2-ylamino)methyl]phenol
CID 143074534

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenol?
The IUPAC name of 3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenol (CID 103648398) is 3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenol.
What is the SMILES notation for 3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenol?
The canonical SMILES for 3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenol is CC(CNCc1cccc(O)c1)N(C)C1CC1.
What is the InChIKey of 3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenol?
The InChIKey is QZJIJCOHAYMLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(16(2)13-6-7-13)9-15-10-12-4-3-5-14(17)8-12/h3-5,8,11,13,15,17H,6-7,9-10H2,1-2H3.
What are the key properties of 3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenol?
3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenol has a molecular weight of 234.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[cyclopropyl(methyl)amino]propylamino]methyl]phenol is sourced from PubChem (CID 103648398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).