[4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol

C15H26N2O — CID 106045460

IUPAC[4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol
SMILESCC(C)N(C)CCCNCc1ccc(CO)cc1
InChIInChI=1S/C15H26N2O/c1-13(2)17(3)10-4-9-16-11-14-5-7-15(12-18)8-6-14/h5-8,13,16,18H,4,9-12H2,1-3H3
InChIKeyLQBPUFIHHPDIDB-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.00
Rot. Bonds8

About [4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol

[4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol (PubChem CID 106045460) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is [4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol
PubChem CID106045460
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name[4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol
SMILESCC(C)N(C)CCCNCc1ccc(CO)cc1
InChIInChI=1S/C15H26N2O/c1-13(2)17(3)10-4-9-16-11-14-5-7-15(12-18)8-6-14/h5-8,13,16,18H,4,9-12H2,1-3H3
InChIKeyLQBPUFIHHPDIDB-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.00
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-[[2-[methyl(propan-2-yl)amino]ethylamino]methyl]phenyl]methanol
CID 113365785
methyl 5-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-carboxylate
CID 103920409
4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol
CID 106045730
[4-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]phenyl]methanol
CID 114127511
N-[[4-(difluoromethyl)phenyl]methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 115523961
5-methyl-4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]furan-2-carboxylic acid
CID 114139246
[4-[(nonylamino)methyl]phenyl]methanol
CID 107230873
N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040849
4-[[4-(hydroxymethyl)phenyl]methylamino]butanenitrile
CID 107230942
N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 106045508
2-fluoro-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106044181
[4-[[3-(2-methoxyethoxy)propylamino]methyl]phenyl]methanol
CID 107230997

Frequently Asked Questions

What is the IUPAC name of [4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol (CID 106045460) is [4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol is CC(C)N(C)CCCNCc1ccc(CO)cc1.
What is the InChIKey of [4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol?
The InChIKey is LQBPUFIHHPDIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13(2)17(3)10-4-9-16-11-14-5-7-15(12-18)8-6-14/h5-8,13,16,18H,4,9-12H2,1-3H3.
What are the key properties of [4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol?
[4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol has a molecular weight of 250.39 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-[methyl(propan-2-yl)amino]propylamino]methyl]phenyl]methanol is sourced from PubChem (CID 106045460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).