4-[2-[cyclopropyl(methyl)amino]phenyl]phenol

C16H17NO — CID 174782979

IUPAC4-[2-[cyclopropyl(methyl)amino]phenyl]phenol
SMILESCN(c1ccccc1-c1ccc(O)cc1)C1CC1
InChIInChI=1S/C16H17NO/c1-17(13-8-9-13)16-5-3-2-4-15(16)12-6-10-14(18)11-7-12/h2-7,10-11,13,18H,8-9H2,1H3
InChIKeyLGCMNEGSNQSNPZ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.66
Rot. Bonds3

About 4-[2-[cyclopropyl(methyl)amino]phenyl]phenol

4-[2-[cyclopropyl(methyl)amino]phenyl]phenol (PubChem CID 174782979) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-[2-[cyclopropyl(methyl)amino]phenyl]phenol.

Molecular Properties

Compound Name4-[2-[cyclopropyl(methyl)amino]phenyl]phenol
PubChem CID174782979
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-[2-[cyclopropyl(methyl)amino]phenyl]phenol
SMILESCN(c1ccccc1-c1ccc(O)cc1)C1CC1
InChIInChI=1S/C16H17NO/c1-17(13-8-9-13)16-5-3-2-4-15(16)12-6-10-14(18)11-7-12/h2-7,10-11,13,18H,8-9H2,1H3
InChIKeyLGCMNEGSNQSNPZ-UHFFFAOYSA-N
XLogP3.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropyl(methyl)amino]phenyl]phenol?
The IUPAC name of 4-[2-[cyclopropyl(methyl)amino]phenyl]phenol (CID 174782979) is 4-[2-[cyclopropyl(methyl)amino]phenyl]phenol.
What is the SMILES notation for 4-[2-[cyclopropyl(methyl)amino]phenyl]phenol?
The canonical SMILES for 4-[2-[cyclopropyl(methyl)amino]phenyl]phenol is CN(c1ccccc1-c1ccc(O)cc1)C1CC1.
What is the InChIKey of 4-[2-[cyclopropyl(methyl)amino]phenyl]phenol?
The InChIKey is LGCMNEGSNQSNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-17(13-8-9-13)16-5-3-2-4-15(16)12-6-10-14(18)11-7-12/h2-7,10-11,13,18H,8-9H2,1H3.
What are the key properties of 4-[2-[cyclopropyl(methyl)amino]phenyl]phenol?
4-[2-[cyclopropyl(methyl)amino]phenyl]phenol has a molecular weight of 239.32 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropyl(methyl)amino]phenyl]phenol is sourced from PubChem (CID 174782979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).