4-[[(2,2-dimethylcyclopropyl)methylamino]-phenylmethyl]phenol

C19H23NO — CID 103949202

IUPAC4-[[(2,2-dimethylcyclopropyl)methylamino]-phenylmethyl]phenol
SMILESCC1(C)CC1CNC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C19H23NO/c1-19(2)12-16(19)13-20-18(14-6-4-3-5-7-14)15-8-10-17(21)11-9-15/h3-11,16,18,20-21H,12-13H2,1-2H3
InChIKeyAQZIRJDTNVZYDS-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.12
Rot. Bonds5

About 4-[[(2,2-dimethylcyclopropyl)methylamino]-phenylmethyl]phenol

4-[[(2,2-dimethylcyclopropyl)methylamino]-phenylmethyl]phenol (PubChem CID 103949202) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[[(2,2-dimethylcyclopropyl)methylamino]-phenylmethyl]phenol.

Molecular Properties

Compound Name4-[[(2,2-dimethylcyclopropyl)methylamino]-phenylmethyl]phenol
PubChem CID103949202
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name4-[[(2,2-dimethylcyclopropyl)methylamino]-phenylmethyl]phenol
SMILESCC1(C)CC1CNC(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C19H23NO/c1-19(2)12-16(19)13-20-18(14-6-4-3-5-7-14)15-8-10-17(21)11-9-15/h3-11,16,18,20-21H,12-13H2,1-2H3
InChIKeyAQZIRJDTNVZYDS-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2,2-dimethylcyclopropyl)methylamino]-phenylmethyl]phenol?
The IUPAC name of 4-[[(2,2-dimethylcyclopropyl)methylamino]-phenylmethyl]phenol (CID 103949202) is 4-[[(2,2-dimethylcyclopropyl)methylamino]-phenylmethyl]phenol.
What is the SMILES notation for 4-[[(2,2-dimethylcyclopropyl)methylamino]-phenylmethyl]phenol?
The canonical SMILES for 4-[[(2,2-dimethylcyclopropyl)methylamino]-phenylmethyl]phenol is CC1(C)CC1CNC(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 4-[[(2,2-dimethylcyclopropyl)methylamino]-phenylmethyl]phenol?
The InChIKey is AQZIRJDTNVZYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-19(2)12-16(19)13-20-18(14-6-4-3-5-7-14)15-8-10-17(21)11-9-15/h3-11,16,18,20-21H,12-13H2,1-2H3.
What are the key properties of 4-[[(2,2-dimethylcyclopropyl)methylamino]-phenylmethyl]phenol?
4-[[(2,2-dimethylcyclopropyl)methylamino]-phenylmethyl]phenol has a molecular weight of 281.40 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,2-dimethylcyclopropyl)methylamino]-phenylmethyl]phenol is sourced from PubChem (CID 103949202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).