2,4-dichloro-6-[(1-cyclohexylpropylamino)methyl]phenol

C16H23Cl2NO — CID 63478365

IUPAC2,4-dichloro-6-[(1-cyclohexylpropylamino)methyl]phenol
SMILESCCC(NCc1cc(Cl)cc(Cl)c1O)C1CCCCC1
InChIInChI=1S/C16H23Cl2NO/c1-2-15(11-6-4-3-5-7-11)19-10-12-8-13(17)9-14(18)16(12)20/h8-9,11,15,19-20H,2-7,10H2,1H3
InChIKeyRGYSRMNTBQALBP-UHFFFAOYSA-N
MW316.27 g/mol
LogP5.15
Rot. Bonds5

About 2,4-dichloro-6-[(1-cyclohexylpropylamino)methyl]phenol

2,4-dichloro-6-[(1-cyclohexylpropylamino)methyl]phenol (PubChem CID 63478365) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is 2,4-dichloro-6-[(1-cyclohexylpropylamino)methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(1-cyclohexylpropylamino)methyl]phenol
PubChem CID63478365
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC Name2,4-dichloro-6-[(1-cyclohexylpropylamino)methyl]phenol
SMILESCCC(NCc1cc(Cl)cc(Cl)c1O)C1CCCCC1
InChIInChI=1S/C16H23Cl2NO/c1-2-15(11-6-4-3-5-7-11)19-10-12-8-13(17)9-14(18)16(12)20/h8-9,11,15,19-20H,2-7,10H2,1H3
InChIKeyRGYSRMNTBQALBP-UHFFFAOYSA-N
XLogP5.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.27
LogP ≤ 55.15
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

2,4-dichloro-6-[(cyclononylamino)methyl]phenol
CID 90015699
1-cyclohexyl-N-[(2,3-dichlorophenyl)methyl]propan-1-amine
CID 63476982
2,4-dichloro-6-[(cyclobutylamino)methyl]phenol
CID 62416291
2,4-dichloro-6-[(1-hydroxybutan-2-ylamino)methyl]phenol
CID 43207158
2,4-dichloro-6-[[(1-ethylpiperidin-4-yl)amino]methyl]phenol
CID 54917129
2,4-dichloro-6-[(1-hydroxypentan-3-ylamino)methyl]phenol
CID 111449211
3-[(3,5-dichloro-2-hydroxyphenyl)methylamino]pentanenitrile
CID 55101793
methyl 2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]propanoate
CID 60780743
2,4-dichloro-6-[(2-methylbutylamino)methyl]phenol
CID 62693693
2-[(but-3-en-2-ylamino)methyl]-4,6-dichlorophenol
CID 115691167
2,4-dichloro-6-[(oxan-4-ylamino)methyl]phenol
CID 43609941
1-cycloheptyl-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 65398954

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(1-cyclohexylpropylamino)methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(1-cyclohexylpropylamino)methyl]phenol (CID 63478365) is 2,4-dichloro-6-[(1-cyclohexylpropylamino)methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(1-cyclohexylpropylamino)methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(1-cyclohexylpropylamino)methyl]phenol is CCC(NCc1cc(Cl)cc(Cl)c1O)C1CCCCC1.
What is the InChIKey of 2,4-dichloro-6-[(1-cyclohexylpropylamino)methyl]phenol?
The InChIKey is RGYSRMNTBQALBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-2-15(11-6-4-3-5-7-11)19-10-12-8-13(17)9-14(18)16(12)20/h8-9,11,15,19-20H,2-7,10H2,1H3.
What are the key properties of 2,4-dichloro-6-[(1-cyclohexylpropylamino)methyl]phenol?
2,4-dichloro-6-[(1-cyclohexylpropylamino)methyl]phenol has a molecular weight of 316.27 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(1-cyclohexylpropylamino)methyl]phenol is sourced from PubChem (CID 63478365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).