[4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol

C14H24N2O — CID 113365785

IUPAC[4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol
SMILESCC(C)N(C)CCNCc1ccc(CO)cc1
InChIInChI=1S/C14H24N2O/c1-12(2)16(3)9-8-15-10-13-4-6-14(11-17)7-5-13/h4-7,12,15,17H,8-11H2,1-3H3
InChIKeyGTKUDPVHGJORPC-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.61
Rot. Bonds7

About [4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol

[4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol (PubChem CID 113365785) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is [4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol
PubChem CID113365785
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name[4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol
SMILESCC(C)N(C)CCNCc1ccc(CO)cc1
InChIInChI=1S/C14H24N2O/c1-12(2)16(3)9-8-15-10-13-4-6-14(11-17)7-5-13/h4-7,12,15,17H,8-11H2,1-3H3
InChIKeyGTKUDPVHGJORPC-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol
CID 106045460
N-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 115523961
N'-methyl-N-[(4-nitrophenyl)methyl]-N'-propan-2-ylethane-1,2-diamine
CID 62634188
2-[4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenoxy]acetonitrile
CID 62635400
[4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol
CID 114127511
4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]phenol
CID 113357824
N'-methyl-N'-propan-2-yl-N-[(4-pyrazol-1-ylphenyl)methyl]ethane-1,2-diamine
CID 62635762
4-methyl-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol
CID 63325666
4-chloro-2-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenol
CID 62636256
2-[2-[methyl(propan-2-yl)amino]ethylamino]ethanol
CID 62641213
N'-methyl-N'-propan-2-yl-N-[(3-propan-2-yloxyphenyl)methyl]ethane-1,2-diamine
CID 62634740
4-[[2-[butan-2-yl(methyl)amino]ethylamino]methyl]-N-methylbenzamide
CID 103640064

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol (CID 113365785) is [4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol is CC(C)N(C)CCNCc1ccc(CO)cc1.
What is the InChIKey of [4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol?
The InChIKey is GTKUDPVHGJORPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12(2)16(3)9-8-15-10-13-4-6-14(11-17)7-5-13/h4-7,12,15,17H,8-11H2,1-3H3.
What are the key properties of [4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol?
[4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol has a molecular weight of 236.36 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol is sourced from PubChem (CID 113365785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).