2-(benzylamino)-2-cyclopropylethanol

C12H17NO — CID 61310753

IUPAC2-(benzylamino)-2-cyclopropylethanol
SMILESOCC(NCc1ccccc1)C1CC1
InChIInChI=1S/C12H17NO/c14-9-12(11-6-7-11)13-8-10-4-2-1-3-5-10/h1-5,11-14H,6-9H2
InChIKeyDZDKMEPDTJSHHN-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.55
Rot. Bonds5

About 2-(benzylamino)-2-cyclopropylethanol

2-(benzylamino)-2-cyclopropylethanol (PubChem CID 61310753) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(benzylamino)-2-cyclopropylethanol.

Molecular Properties

Compound Name2-(benzylamino)-2-cyclopropylethanol
PubChem CID61310753
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(benzylamino)-2-cyclopropylethanol
SMILESOCC(NCc1ccccc1)C1CC1
InChIInChI=1S/C12H17NO/c14-9-12(11-6-7-11)13-8-10-4-2-1-3-5-10/h1-5,11-14H,6-9H2
InChIKeyDZDKMEPDTJSHHN-UHFFFAOYSA-N
XLogP1.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-cyclopropylethanol?
The IUPAC name of 2-(benzylamino)-2-cyclopropylethanol (CID 61310753) is 2-(benzylamino)-2-cyclopropylethanol.
What is the SMILES notation for 2-(benzylamino)-2-cyclopropylethanol?
The canonical SMILES for 2-(benzylamino)-2-cyclopropylethanol is OCC(NCc1ccccc1)C1CC1.
What is the InChIKey of 2-(benzylamino)-2-cyclopropylethanol?
The InChIKey is DZDKMEPDTJSHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-9-12(11-6-7-11)13-8-10-4-2-1-3-5-10/h1-5,11-14H,6-9H2.
What are the key properties of 2-(benzylamino)-2-cyclopropylethanol?
2-(benzylamino)-2-cyclopropylethanol has a molecular weight of 191.27 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-cyclopropylethanol is sourced from PubChem (CID 61310753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).