3-[2-[cyclopropylmethyl(2-phenylethyl)amino]ethyl]phenol

C20H25NO — CID 71452040

IUPAC3-[2-[cyclopropylmethyl(2-phenylethyl)amino]ethyl]phenol
SMILESOc1cccc(CCN(CCc2ccccc2)CC2CC2)c1
InChIInChI=1S/C20H25NO/c22-20-8-4-7-18(15-20)12-14-21(16-19-9-10-19)13-11-17-5-2-1-3-6-17/h1-8,15,19,22H,9-14,16H2
InChIKeyQURAQIGQNZYJHP-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.89
Rot. Bonds8

About 3-[2-[cyclopropylmethyl(2-phenylethyl)amino]ethyl]phenol

3-[2-[cyclopropylmethyl(2-phenylethyl)amino]ethyl]phenol (PubChem CID 71452040) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-[2-[cyclopropylmethyl(2-phenylethyl)amino]ethyl]phenol.

Molecular Properties

Compound Name3-[2-[cyclopropylmethyl(2-phenylethyl)amino]ethyl]phenol
PubChem CID71452040
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name3-[2-[cyclopropylmethyl(2-phenylethyl)amino]ethyl]phenol
SMILESOc1cccc(CCN(CCc2ccccc2)CC2CC2)c1
InChIInChI=1S/C20H25NO/c22-20-8-4-7-18(15-20)12-14-21(16-19-9-10-19)13-11-17-5-2-1-3-6-17/h1-8,15,19,22H,9-14,16H2
InChIKeyQURAQIGQNZYJHP-UHFFFAOYSA-N
XLogP3.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropylmethyl(2-phenylethyl)amino]ethyl]phenol?
The IUPAC name of 3-[2-[cyclopropylmethyl(2-phenylethyl)amino]ethyl]phenol (CID 71452040) is 3-[2-[cyclopropylmethyl(2-phenylethyl)amino]ethyl]phenol.
What is the SMILES notation for 3-[2-[cyclopropylmethyl(2-phenylethyl)amino]ethyl]phenol?
The canonical SMILES for 3-[2-[cyclopropylmethyl(2-phenylethyl)amino]ethyl]phenol is Oc1cccc(CCN(CCc2ccccc2)CC2CC2)c1.
What is the InChIKey of 3-[2-[cyclopropylmethyl(2-phenylethyl)amino]ethyl]phenol?
The InChIKey is QURAQIGQNZYJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c22-20-8-4-7-18(15-20)12-14-21(16-19-9-10-19)13-11-17-5-2-1-3-6-17/h1-8,15,19,22H,9-14,16H2.
What are the key properties of 3-[2-[cyclopropylmethyl(2-phenylethyl)amino]ethyl]phenol?
3-[2-[cyclopropylmethyl(2-phenylethyl)amino]ethyl]phenol has a molecular weight of 295.43 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropylmethyl(2-phenylethyl)amino]ethyl]phenol is sourced from PubChem (CID 71452040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).