4-[3-[[(4-chlorophenyl)-phenylmethyl]amino]butyl]phenol

C23H24ClNO — CID 2846554

IUPAC4-[3-[[(4-chlorophenyl)-phenylmethyl]amino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClNO/c1-17(7-8-18-9-15-22(26)16-10-18)25-23(19-5-3-2-4-6-19)20-11-13-21(24)14-12-20/h2-6,9-17,23,25-26H,7-8H2,1H3
InChIKeyQLPAJZWONBXDTG-UHFFFAOYSA-N
MW365.90 g/mol
LogP5.75
Rot. Bonds7

About 4-[3-[[(4-chlorophenyl)-phenylmethyl]amino]butyl]phenol

4-[3-[[(4-chlorophenyl)-phenylmethyl]amino]butyl]phenol (PubChem CID 2846554) has the molecular formula C23H24ClNO and a molecular weight of 365.90 g/mol. Its IUPAC name is 4-[3-[[(4-chlorophenyl)-phenylmethyl]amino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[[(4-chlorophenyl)-phenylmethyl]amino]butyl]phenol
PubChem CID2846554
Molecular FormulaC23H24ClNO
Molecular Weight365.90 g/mol
Exact Mass365.15
IUPAC Name4-[3-[[(4-chlorophenyl)-phenylmethyl]amino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NC(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H24ClNO/c1-17(7-8-18-9-15-22(26)16-10-18)25-23(19-5-3-2-4-6-19)20-11-13-21(24)14-12-20/h2-6,9-17,23,25-26H,7-8H2,1H3
InChIKeyQLPAJZWONBXDTG-UHFFFAOYSA-N
XLogP5.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.90
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[[(4-chlorophenyl)-phenylmethyl]amino]butyl]phenol?
The IUPAC name of 4-[3-[[(4-chlorophenyl)-phenylmethyl]amino]butyl]phenol (CID 2846554) is 4-[3-[[(4-chlorophenyl)-phenylmethyl]amino]butyl]phenol.
What is the SMILES notation for 4-[3-[[(4-chlorophenyl)-phenylmethyl]amino]butyl]phenol?
The canonical SMILES for 4-[3-[[(4-chlorophenyl)-phenylmethyl]amino]butyl]phenol is CC(CCc1ccc(O)cc1)NC(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[3-[[(4-chlorophenyl)-phenylmethyl]amino]butyl]phenol?
The InChIKey is QLPAJZWONBXDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO/c1-17(7-8-18-9-15-22(26)16-10-18)25-23(19-5-3-2-4-6-19)20-11-13-21(24)14-12-20/h2-6,9-17,23,25-26H,7-8H2,1H3.
What are the key properties of 4-[3-[[(4-chlorophenyl)-phenylmethyl]amino]butyl]phenol?
4-[3-[[(4-chlorophenyl)-phenylmethyl]amino]butyl]phenol has a molecular weight of 365.90 g/mol, XLogP of 5.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[(4-chlorophenyl)-phenylmethyl]amino]butyl]phenol is sourced from PubChem (CID 2846554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).