[1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol

C14H21NO — CID 115243291

IUPAC[1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol
SMILESCc1ccc(NCC2(CO)CC2)c(C)c1C
InChIInChI=1S/C14H21NO/c1-10-4-5-13(12(3)11(10)2)15-8-14(9-16)6-7-14/h4-5,15-16H,6-9H2,1-3H3
InChIKeyWCAZYRQLKUHHMR-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.80
Rot. Bonds4

About [1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol

[1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol (PubChem CID 115243291) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol
PubChem CID115243291
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol
SMILESCc1ccc(NCC2(CO)CC2)c(C)c1C
InChIInChI=1S/C14H21NO/c1-10-4-5-13(12(3)11(10)2)15-8-14(9-16)6-7-14/h4-5,15-16H,6-9H2,1-3H3
InChIKeyWCAZYRQLKUHHMR-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-2,3,4-trimethylaniline
CID 115245654
2,3,4-trimethyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]aniline
CID 115246081
1-[(2,3,4-trimethylanilino)methyl]cyclobutane-1-carboxylic acid
CID 115246413
[1-[[(2,3,4-trimethylphenyl)methylamino]methyl]cyclobutyl]methanol
CID 115246983
[1-[(2-methyl-4-nitroanilino)methyl]cyclopropyl]methanol
CID 79479093
[1-[(4-amino-2-methylanilino)methyl]cyclopentyl]methanol
CID 115358022
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methylbenzoic acid
CID 115360531
[1-[[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]methyl]cyclopropyl]methanol
CID 115243248
4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-methylbenzoic acid
CID 115455537
[1-[(2-methoxy-3,5-dimethylanilino)methyl]cyclopropyl]methanol
CID 115243235
4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-methylbenzamide
CID 81413360
[1-[(2,3,5,6-tetramethylanilino)methyl]cyclobutyl]methanol
CID 115246701

Frequently Asked Questions

What is the IUPAC name of [1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol (CID 115243291) is [1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol is Cc1ccc(NCC2(CO)CC2)c(C)c1C.
What is the InChIKey of [1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol?
The InChIKey is WCAZYRQLKUHHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-4-5-13(12(3)11(10)2)15-8-14(9-16)6-7-14/h4-5,15-16H,6-9H2,1-3H3.
What are the key properties of [1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol?
[1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol has a molecular weight of 219.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,3,4-trimethylanilino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).