2,4-dichloro-6-[(2-chloroprop-2-enylamino)methyl]phenol

C10H10Cl3NO — CID 115702594

IUPAC2,4-dichloro-6-[(2-chloroprop-2-enylamino)methyl]phenol
SMILESC=C(Cl)CNCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H10Cl3NO/c1-6(11)4-14-5-7-2-8(12)3-9(13)10(7)15/h2-3,14-15H,1,4-5H2
InChIKeyCZHIASQVASCLLF-UHFFFAOYSA-N
MW266.56 g/mol
LogP3.54
Rot. Bonds4

About 2,4-dichloro-6-[(2-chloroprop-2-enylamino)methyl]phenol

2,4-dichloro-6-[(2-chloroprop-2-enylamino)methyl]phenol (PubChem CID 115702594) has the molecular formula C10H10Cl3NO and a molecular weight of 266.56 g/mol. Its IUPAC name is 2,4-dichloro-6-[(2-chloroprop-2-enylamino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(2-chloroprop-2-enylamino)methyl]phenol
PubChem CID115702594
Molecular FormulaC10H10Cl3NO
Molecular Weight266.56 g/mol
Exact Mass264.98
IUPAC Name2,4-dichloro-6-[(2-chloroprop-2-enylamino)methyl]phenol
SMILESC=C(Cl)CNCc1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H10Cl3NO/c1-6(11)4-14-5-7-2-8(12)3-9(13)10(7)15/h2-3,14-15H,1,4-5H2
InChIKeyCZHIASQVASCLLF-UHFFFAOYSA-N
XLogP3.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.56
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetamide
CID 16775959
2,4-dichloro-6-[[(3-hydroxycyclobutyl)methylamino]methyl]phenol
CID 66004538
acetic acid;2,4-dichloro-6-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 70616535
2,5-dichloro-3-[[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 134097048
tert-butyl 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]acetate
CID 81462864
2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol
CID 62693693
3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanamide
CID 43553259
2-[(but-3-en-2-ylamino)methyl]-4,6-dichlorophenol
CID 115691167
2-chloro-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]prop-2-en-1-amine
CID 115702536
N-[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]acetamide
CID 28684903
2,4-dichloro-6-[(2-ethoxypropylamino)methyl]phenol
CID 115655729
2,4-dichloro-6-[[(3-methylphenyl)methylamino]methyl]phenol
CID 28664013

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(2-chloroprop-2-enylamino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(2-chloroprop-2-enylamino)methyl]phenol (CID 115702594) is 2,4-dichloro-6-[(2-chloroprop-2-enylamino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(2-chloroprop-2-enylamino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(2-chloroprop-2-enylamino)methyl]phenol is C=C(Cl)CNCc1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(2-chloroprop-2-enylamino)methyl]phenol?
The InChIKey is CZHIASQVASCLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO/c1-6(11)4-14-5-7-2-8(12)3-9(13)10(7)15/h2-3,14-15H,1,4-5H2.
What are the key properties of 2,4-dichloro-6-[(2-chloroprop-2-enylamino)methyl]phenol?
2,4-dichloro-6-[(2-chloroprop-2-enylamino)methyl]phenol has a molecular weight of 266.56 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(2-chloroprop-2-enylamino)methyl]phenol is sourced from PubChem (CID 115702594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).