[2-[(2-methylanilino)methyl]cyclopropyl]methanol

C12H17NO — CID 102547886

IUPAC[2-[(2-methylanilino)methyl]cyclopropyl]methanol
SMILESCc1ccccc1NCC1CC1CO
InChIInChI=1S/C12H17NO/c1-9-4-2-3-5-12(9)13-7-10-6-11(10)8-14/h2-5,10-11,13-14H,6-8H2,1H3
InChIKeyWZFKWTJXZVASFL-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.04
Rot. Bonds4

About [2-[(2-methylanilino)methyl]cyclopropyl]methanol

[2-[(2-methylanilino)methyl]cyclopropyl]methanol (PubChem CID 102547886) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [2-[(2-methylanilino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[2-[(2-methylanilino)methyl]cyclopropyl]methanol
PubChem CID102547886
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[2-[(2-methylanilino)methyl]cyclopropyl]methanol
SMILESCc1ccccc1NCC1CC1CO
InChIInChI=1S/C12H17NO/c1-9-4-2-3-5-12(9)13-7-10-6-11(10)8-14/h2-5,10-11,13-14H,6-8H2,1H3
InChIKeyWZFKWTJXZVASFL-UHFFFAOYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylanilino)methyl]cyclopropyl]methanol?
The IUPAC name of [2-[(2-methylanilino)methyl]cyclopropyl]methanol (CID 102547886) is [2-[(2-methylanilino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [2-[(2-methylanilino)methyl]cyclopropyl]methanol?
The canonical SMILES for [2-[(2-methylanilino)methyl]cyclopropyl]methanol is Cc1ccccc1NCC1CC1CO.
What is the InChIKey of [2-[(2-methylanilino)methyl]cyclopropyl]methanol?
The InChIKey is WZFKWTJXZVASFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-4-2-3-5-12(9)13-7-10-6-11(10)8-14/h2-5,10-11,13-14H,6-8H2,1H3.
What are the key properties of [2-[(2-methylanilino)methyl]cyclopropyl]methanol?
[2-[(2-methylanilino)methyl]cyclopropyl]methanol has a molecular weight of 191.27 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylanilino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 102547886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).