[1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol

C15H23NO — CID 115243516

IUPAC[1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
SMILESCc1ccc(CN(C)CC2(CO)CC2)cc1C
InChIInChI=1S/C15H23NO/c1-12-4-5-14(8-13(12)2)9-16(3)10-15(11-17)6-7-15/h4-5,8,17H,6-7,9-11H2,1-3H3
InChIKeyBBUFRGSCECTTSU-UHFFFAOYSA-N
MW233.35 g/mol
LogP2.51
Rot. Bonds5

About [1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol

[1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol (PubChem CID 115243516) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is [1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
PubChem CID115243516
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name[1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
SMILESCc1ccc(CN(C)CC2(CO)CC2)cc1C
InChIInChI=1S/C15H23NO/c1-12-4-5-14(8-13(12)2)9-16(3)10-15(11-17)6-7-15/h4-5,8,17H,6-7,9-11H2,1-3H3
InChIKeyBBUFRGSCECTTSU-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 114952780
[1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243547
[1-[[(4-ethoxy-3-fluorophenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243556
[1-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclopentyl]methanol
CID 62267034
[1-[[2-(3,4-dimethylphenyl)ethylamino]methyl]cyclopropyl]methanol
CID 115243618
[4-[[1H-indol-5-ylmethyl(methyl)amino]methyl]oxan-4-yl]methanol
CID 56908522
3-[(3,4-dimethylphenyl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115135358
3-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxetane-3-carbonitrile
CID 115248057
4-fluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]methyl]phenol
CID 56720245
1-[(3,4-dimethylphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 115181912
[3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]oxetan-3-yl]methanol
CID 115249023
[1-[[methyl-[(2-methylphenyl)methyl]amino]methyl]cyclohexyl]methanol
CID 55055377

Frequently Asked Questions

What is the IUPAC name of [1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol?
The IUPAC name of [1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol (CID 115243516) is [1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol is Cc1ccc(CN(C)CC2(CO)CC2)cc1C.
What is the InChIKey of [1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol?
The InChIKey is BBUFRGSCECTTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-4-5-14(8-13(12)2)9-16(3)10-15(11-17)6-7-15/h4-5,8,17H,6-7,9-11H2,1-3H3.
What are the key properties of [1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol?
[1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol has a molecular weight of 233.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).