[1-[(2,4-dichloro-N-methylanilino)methyl]cyclopropyl]methanol

C12H15Cl2NO — CID 115243413

IUPAC[1-[(2,4-dichloro-N-methylanilino)methyl]cyclopropyl]methanol
SMILESCN(CC1(CO)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-15(7-12(8-16)4-5-12)11-3-2-9(13)6-10(11)14/h2-3,6,16H,4-5,7-8H2,1H3
InChIKeyQUDBCAYISMCJJG-UHFFFAOYSA-N
MW260.16 g/mol
LogP3.20
Rot. Bonds4

About [1-[(2,4-dichloro-N-methylanilino)methyl]cyclopropyl]methanol

[1-[(2,4-dichloro-N-methylanilino)methyl]cyclopropyl]methanol (PubChem CID 115243413) has the molecular formula C12H15Cl2NO and a molecular weight of 260.16 g/mol. Its IUPAC name is [1-[(2,4-dichloro-N-methylanilino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(2,4-dichloro-N-methylanilino)methyl]cyclopropyl]methanol
PubChem CID115243413
Molecular FormulaC12H15Cl2NO
Molecular Weight260.16 g/mol
Exact Mass259.05
IUPAC Name[1-[(2,4-dichloro-N-methylanilino)methyl]cyclopropyl]methanol
SMILESCN(CC1(CO)CC1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H15Cl2NO/c1-15(7-12(8-16)4-5-12)11-3-2-9(13)6-10(11)14/h2-3,6,16H,4-5,7-8H2,1H3
InChIKeyQUDBCAYISMCJJG-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-2,4-dichloro-N-methylaniline
CID 115244039
[1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243408
2-(2,4-dichloro-N-methylanilino)acetonitrile
CID 82113638
[1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol
CID 115243384
[1-[(N,2,4,6-tetramethylanilino)methyl]cyclopropyl]methanol
CID 115243342
[1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243357
[1-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropyl]methanol
CID 115243345
[1-[(2,4-dichlorophenyl)methyl]cyclobutyl]methanol
CID 66025200
1-[[2-(aminomethyl)-4-chloro-N-methylanilino]methyl]cyclopentan-1-ol
CID 114947842
1-N-(2,4-dichlorophenyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200543
3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide
CID 91768563
1-[[2-chloro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]methyl]cyclopentan-1-ol
CID 104985486

Frequently Asked Questions

What is the IUPAC name of [1-[(2,4-dichloro-N-methylanilino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(2,4-dichloro-N-methylanilino)methyl]cyclopropyl]methanol (CID 115243413) is [1-[(2,4-dichloro-N-methylanilino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(2,4-dichloro-N-methylanilino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(2,4-dichloro-N-methylanilino)methyl]cyclopropyl]methanol is CN(CC1(CO)CC1)c1ccc(Cl)cc1Cl.
What is the InChIKey of [1-[(2,4-dichloro-N-methylanilino)methyl]cyclopropyl]methanol?
The InChIKey is QUDBCAYISMCJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO/c1-15(7-12(8-16)4-5-12)11-3-2-9(13)6-10(11)14/h2-3,6,16H,4-5,7-8H2,1H3.
What are the key properties of [1-[(2,4-dichloro-N-methylanilino)methyl]cyclopropyl]methanol?
[1-[(2,4-dichloro-N-methylanilino)methyl]cyclopropyl]methanol has a molecular weight of 260.16 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,4-dichloro-N-methylanilino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 115243413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).