[4-[3-[[5-(4-chlorophenyl)-2-pyridinyl]amino]propyl]phenyl]methanol

C21H21ClN2O — CID 58877808

IUPAC[4-[3-[[5-(4-chlorophenyl)-2-pyridinyl]amino]propyl]phenyl]methanol
SMILESOCc1ccc(CCCNc2ccc(-c3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C21H21ClN2O/c22-20-10-7-18(8-11-20)19-9-12-21(24-14-19)23-13-1-2-16-3-5-17(15-25)6-4-16/h3-12,14,25H,1-2,13,15H2,(H,23,24)
InChIKeyMPVWIJZRLUSFJS-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.94
Rot. Bonds7

About [4-[3-[[5-(4-chlorophenyl)-2-pyridinyl]amino]propyl]phenyl]methanol

[4-[3-[[5-(4-chlorophenyl)-2-pyridinyl]amino]propyl]phenyl]methanol (PubChem CID 58877808) has the molecular formula C21H21ClN2O and a molecular weight of 352.87 g/mol. Its IUPAC name is [4-[3-[[5-(4-chlorophenyl)-2-pyridinyl]amino]propyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-[[5-(4-chlorophenyl)-2-pyridinyl]amino]propyl]phenyl]methanol
PubChem CID58877808
Molecular FormulaC21H21ClN2O
Molecular Weight352.87 g/mol
Exact Mass352.13
IUPAC Name[4-[3-[[5-(4-chlorophenyl)-2-pyridinyl]amino]propyl]phenyl]methanol
SMILESOCc1ccc(CCCNc2ccc(-c3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C21H21ClN2O/c22-20-10-7-18(8-11-20)19-9-12-21(24-14-19)23-13-1-2-16-3-5-17(15-25)6-4-16/h3-12,14,25H,1-2,13,15H2,(H,23,24)
InChIKeyMPVWIJZRLUSFJS-UHFFFAOYSA-N
XLogP4.94
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[[5-(4-chlorophenyl)-2-pyridinyl]amino]propyl]phenyl]methanol?
The IUPAC name of [4-[3-[[5-(4-chlorophenyl)-2-pyridinyl]amino]propyl]phenyl]methanol (CID 58877808) is [4-[3-[[5-(4-chlorophenyl)-2-pyridinyl]amino]propyl]phenyl]methanol.
What is the SMILES notation for [4-[3-[[5-(4-chlorophenyl)-2-pyridinyl]amino]propyl]phenyl]methanol?
The canonical SMILES for [4-[3-[[5-(4-chlorophenyl)-2-pyridinyl]amino]propyl]phenyl]methanol is OCc1ccc(CCCNc2ccc(-c3ccc(Cl)cc3)cn2)cc1.
What is the InChIKey of [4-[3-[[5-(4-chlorophenyl)-2-pyridinyl]amino]propyl]phenyl]methanol?
The InChIKey is MPVWIJZRLUSFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O/c22-20-10-7-18(8-11-20)19-9-12-21(24-14-19)23-13-1-2-16-3-5-17(15-25)6-4-16/h3-12,14,25H,1-2,13,15H2,(H,23,24).
What are the key properties of [4-[3-[[5-(4-chlorophenyl)-2-pyridinyl]amino]propyl]phenyl]methanol?
[4-[3-[[5-(4-chlorophenyl)-2-pyridinyl]amino]propyl]phenyl]methanol has a molecular weight of 352.87 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[[5-(4-chlorophenyl)-2-pyridinyl]amino]propyl]phenyl]methanol is sourced from PubChem (CID 58877808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).