4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol

C17H19Cl2NO — CID 43746669

IUPAC4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C17H19Cl2NO/c1-12(5-6-13-7-9-15(21)10-8-13)20-11-14-3-2-4-16(18)17(14)19/h2-4,7-10,12,20-21H,5-6,11H2,1H3
InChIKeyVWMSUNSEFSNHLG-UHFFFAOYSA-N
MW324.25 g/mol
LogP4.81
Rot. Bonds6

About 4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol

4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol (PubChem CID 43746669) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol.

Molecular Properties

Compound Name4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol
PubChem CID43746669
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol
SMILESCC(CCc1ccc(O)cc1)NCc1cccc(Cl)c1Cl
InChIInChI=1S/C17H19Cl2NO/c1-12(5-6-13-7-9-15(21)10-8-13)20-11-14-3-2-4-16(18)17(14)19/h2-4,7-10,12,20-21H,5-6,11H2,1H3
InChIKeyVWMSUNSEFSNHLG-UHFFFAOYSA-N
XLogP4.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[(5-chloro-2-fluorophenyl)methylamino]butyl]phenol
CID 115762242
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine
CID 17211330
N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine
CID 62733353
1-(4-chlorophenyl)-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 43677587
N-[(2-chlorophenyl)methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211329
1-bromo-N-[(2,3-dichlorophenyl)methyl]propan-2-amine
CID 107859555
N-[(2,3-dichlorophenyl)methyl]-1-(4-fluorophenyl)propan-2-amine
CID 63462744
4-[3-[(4-methylphenyl)methylamino]butyl]phenol
CID 43196100
4-[3-[(6-methyl-2-pyridinyl)methylamino]butyl]phenol
CID 62322123
4-[3-[(3-ethyl-2-pyridinyl)methylamino]butyl]phenol
CID 82732195
4-[3-(thiophen-3-ylmethylamino)butyl]phenol
CID 43746689
4-(2,3-dichlorophenyl)-N-methylbutan-2-amine
CID 64503767

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol?
The IUPAC name of 4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol (CID 43746669) is 4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol.
What is the SMILES notation for 4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol?
The canonical SMILES for 4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol is CC(CCc1ccc(O)cc1)NCc1cccc(Cl)c1Cl.
What is the InChIKey of 4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol?
The InChIKey is VWMSUNSEFSNHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-12(5-6-13-7-9-15(21)10-8-13)20-11-14-3-2-4-16(18)17(14)19/h2-4,7-10,12,20-21H,5-6,11H2,1H3.
What are the key properties of 4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol?
4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol has a molecular weight of 324.25 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2,3-dichlorophenyl)methylamino]butyl]phenol is sourced from PubChem (CID 43746669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).