2,4-dichloro-6-[(3-phenylpropylamino)methyl]phenol

C16H17Cl2NO — CID 29286269

IUPAC2,4-dichloro-6-[(3-phenylpropylamino)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1CNCCCc1ccccc1
InChIInChI=1S/C16H17Cl2NO/c17-14-9-13(16(20)15(18)10-14)11-19-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-10,19-20H,4,7-8,11H2
InChIKeyUYRRVWHKIBWNBP-UHFFFAOYSA-N
MW310.22 g/mol
LogP4.42
Rot. Bonds6

About 2,4-dichloro-6-[(3-phenylpropylamino)methyl]phenol

2,4-dichloro-6-[(3-phenylpropylamino)methyl]phenol (PubChem CID 29286269) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2,4-dichloro-6-[(3-phenylpropylamino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(3-phenylpropylamino)methyl]phenol
PubChem CID29286269
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2,4-dichloro-6-[(3-phenylpropylamino)methyl]phenol
SMILESOc1c(Cl)cc(Cl)cc1CNCCCc1ccccc1
InChIInChI=1S/C16H17Cl2NO/c17-14-9-13(16(20)15(18)10-14)11-19-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-10,19-20H,4,7-8,11H2
InChIKeyUYRRVWHKIBWNBP-UHFFFAOYSA-N
XLogP4.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine
CID 30053289
acetic acid;2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 70616535
2,4-dichloro-6-[(2-thiophen-3-ylethylamino)methyl]phenol
CID 54953211
2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol
CID 28664013
2,5-dichloro-3-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 134097048
2,4-dichloro-6-[(3-pyrazol-1-ylpropylamino)methyl]phenol
CID 112688364
2-chloro-4-[(4-phenylbutylamino)methyl]phenol
CID 142098932
3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide
CID 43553259
2,4-dichloro-6-[[methyl(2-phenylethyl)amino]methyl]phenol
CID 82981087
N-[(2-chloro-3-fluorophenyl)methyl]-3-phenylpropan-1-amine
CID 112651869
N-[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]acetamide
CID 28684903
2-(3-phenylpropylamino)ethanol
CID 19012091

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(3-phenylpropylamino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(3-phenylpropylamino)methyl]phenol (CID 29286269) is 2,4-dichloro-6-[(3-phenylpropylamino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(3-phenylpropylamino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(3-phenylpropylamino)methyl]phenol is Oc1c(Cl)cc(Cl)cc1CNCCCc1ccccc1.
What is the InChIKey of 2,4-dichloro-6-[(3-phenylpropylamino)methyl]phenol?
The InChIKey is UYRRVWHKIBWNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c17-14-9-13(16(20)15(18)10-14)11-19-8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-10,19-20H,4,7-8,11H2.
What are the key properties of 2,4-dichloro-6-[(3-phenylpropylamino)methyl]phenol?
2,4-dichloro-6-[(3-phenylpropylamino)methyl]phenol has a molecular weight of 310.22 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(3-phenylpropylamino)methyl]phenol is sourced from PubChem (CID 29286269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).