4-[2-[4-(diethylamino)phenyl]propan-2-yl]phenol

C19H25NO — CID 174631371

IUPAC4-[2-[4-(diethylamino)phenyl]propan-2-yl]phenol
SMILESCCN(CC)c1ccc(C(C)(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H25NO/c1-5-20(6-2)17-11-7-15(8-12-17)19(3,4)16-9-13-18(21)14-10-16/h7-14,21H,5-6H2,1-4H3
InChIKeyNJZXLVRDNDAMLB-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.56
Rot. Bonds5

About 4-[2-[4-(diethylamino)phenyl]propan-2-yl]phenol

4-[2-[4-(diethylamino)phenyl]propan-2-yl]phenol (PubChem CID 174631371) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[2-[4-(diethylamino)phenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-(diethylamino)phenyl]propan-2-yl]phenol
PubChem CID174631371
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-[2-[4-(diethylamino)phenyl]propan-2-yl]phenol
SMILESCCN(CC)c1ccc(C(C)(C)c2ccc(O)cc2)cc1
InChIInChI=1S/C19H25NO/c1-5-20(6-2)17-11-7-15(8-12-17)19(3,4)16-9-13-18(21)14-10-16/h7-14,21H,5-6H2,1-4H3
InChIKeyNJZXLVRDNDAMLB-UHFFFAOYSA-N
XLogP4.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(diethylamino)phenyl]propan-2-yl]phenol?
The IUPAC name of 4-[2-[4-(diethylamino)phenyl]propan-2-yl]phenol (CID 174631371) is 4-[2-[4-(diethylamino)phenyl]propan-2-yl]phenol.
What is the SMILES notation for 4-[2-[4-(diethylamino)phenyl]propan-2-yl]phenol?
The canonical SMILES for 4-[2-[4-(diethylamino)phenyl]propan-2-yl]phenol is CCN(CC)c1ccc(C(C)(C)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-[4-(diethylamino)phenyl]propan-2-yl]phenol?
The InChIKey is NJZXLVRDNDAMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-5-20(6-2)17-11-7-15(8-12-17)19(3,4)16-9-13-18(21)14-10-16/h7-14,21H,5-6H2,1-4H3.
What are the key properties of 4-[2-[4-(diethylamino)phenyl]propan-2-yl]phenol?
4-[2-[4-(diethylamino)phenyl]propan-2-yl]phenol has a molecular weight of 283.42 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(diethylamino)phenyl]propan-2-yl]phenol is sourced from PubChem (CID 174631371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).