[2-[cyclopropylmethyl(methyl)amino]phenyl]methanol

C12H17NO — CID 60984636

IUPAC[2-[cyclopropylmethyl(methyl)amino]phenyl]methanol
SMILESCN(CC1CC1)c1ccccc1CO
InChIInChI=1S/C12H17NO/c1-13(8-10-6-7-10)12-5-3-2-4-11(12)9-14/h2-5,10,14H,6-9H2,1H3
InChIKeyLVAAGUMSDGKXGS-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.03
Rot. Bonds4

About [2-[cyclopropylmethyl(methyl)amino]phenyl]methanol

[2-[cyclopropylmethyl(methyl)amino]phenyl]methanol (PubChem CID 60984636) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is [2-[cyclopropylmethyl(methyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-[cyclopropylmethyl(methyl)amino]phenyl]methanol
PubChem CID60984636
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name[2-[cyclopropylmethyl(methyl)amino]phenyl]methanol
SMILESCN(CC1CC1)c1ccccc1CO
InChIInChI=1S/C12H17NO/c1-13(8-10-6-7-10)12-5-3-2-4-11(12)9-14/h2-5,10,14H,6-9H2,1H3
InChIKeyLVAAGUMSDGKXGS-UHFFFAOYSA-N
XLogP2.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropylmethyl(methyl)amino]phenyl]methanol?
The IUPAC name of [2-[cyclopropylmethyl(methyl)amino]phenyl]methanol (CID 60984636) is [2-[cyclopropylmethyl(methyl)amino]phenyl]methanol.
What is the SMILES notation for [2-[cyclopropylmethyl(methyl)amino]phenyl]methanol?
The canonical SMILES for [2-[cyclopropylmethyl(methyl)amino]phenyl]methanol is CN(CC1CC1)c1ccccc1CO.
What is the InChIKey of [2-[cyclopropylmethyl(methyl)amino]phenyl]methanol?
The InChIKey is LVAAGUMSDGKXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-13(8-10-6-7-10)12-5-3-2-4-11(12)9-14/h2-5,10,14H,6-9H2,1H3.
What are the key properties of [2-[cyclopropylmethyl(methyl)amino]phenyl]methanol?
[2-[cyclopropylmethyl(methyl)amino]phenyl]methanol has a molecular weight of 191.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropylmethyl(methyl)amino]phenyl]methanol is sourced from PubChem (CID 60984636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).