2,6-dichloro-4-(3-methylpentan-2-ylamino)phenol

C12H17Cl2NO — CID 107679023

IUPAC2,6-dichloro-4-(3-methylpentan-2-ylamino)phenol
SMILESCCC(C)C(C)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-4-7(2)8(3)15-9-5-10(13)12(16)11(14)6-9/h5-8,15-16H,4H2,1-3H3
InChIKeyUGWISZQMDAMFSG-UHFFFAOYSA-N
MW262.18 g/mol
LogP4.55
Rot. Bonds4

About 2,6-dichloro-4-(3-methylpentan-2-ylamino)phenol

2,6-dichloro-4-(3-methylpentan-2-ylamino)phenol (PubChem CID 107679023) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 2,6-dichloro-4-(3-methylpentan-2-ylamino)phenol.

Molecular Properties

Compound Name2,6-dichloro-4-(3-methylpentan-2-ylamino)phenol
PubChem CID107679023
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name2,6-dichloro-4-(3-methylpentan-2-ylamino)phenol
SMILESCCC(C)C(C)Nc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C12H17Cl2NO/c1-4-7(2)8(3)15-9-5-10(13)12(16)11(14)6-9/h5-8,15-16H,4H2,1-3H3
InChIKeyUGWISZQMDAMFSG-UHFFFAOYSA-N
XLogP4.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-4-(difluoromethoxy)-N-(3-methylpentan-2-yl)aniline
CID 63449963
2-chloro-4-(3-methylpentan-2-ylamino)benzoic acid
CID 62945460
methyl 2-chloro-5-(3-methylpentan-2-ylamino)benzoate
CID 43672639
2,6-dichloro-4-(ethylamino)phenol
CID 82550826
2,6-dichloro-4-[1-(2,4-dichlorophenyl)propylamino]phenol
CID 107679171
N-(3-methylpentan-2-yl)-4-propan-2-ylaniline
CID 43101164
2,5-dichloro-4-methyl-N-(3-methylpentan-2-yl)aniline
CID 104726239
4-chloro-N-(3-methylpentan-2-yl)-3-nitroaniline
CID 43719386
2,6-dichloro-4-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]phenol
CID 107679206
[4-chloro-3-(3-methylpentan-2-ylamino)phenyl]methanol
CID 115929963
3,5,6-trichloro-N-(3-methylpentan-2-yl)pyridin-2-amine
CID 102750625
2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline
CID 43733550

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(3-methylpentan-2-ylamino)phenol?
The IUPAC name of 2,6-dichloro-4-(3-methylpentan-2-ylamino)phenol (CID 107679023) is 2,6-dichloro-4-(3-methylpentan-2-ylamino)phenol.
What is the SMILES notation for 2,6-dichloro-4-(3-methylpentan-2-ylamino)phenol?
The canonical SMILES for 2,6-dichloro-4-(3-methylpentan-2-ylamino)phenol is CCC(C)C(C)Nc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-(3-methylpentan-2-ylamino)phenol?
The InChIKey is UGWISZQMDAMFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-4-7(2)8(3)15-9-5-10(13)12(16)11(14)6-9/h5-8,15-16H,4H2,1-3H3.
What are the key properties of 2,6-dichloro-4-(3-methylpentan-2-ylamino)phenol?
2,6-dichloro-4-(3-methylpentan-2-ylamino)phenol has a molecular weight of 262.18 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(3-methylpentan-2-ylamino)phenol is sourced from PubChem (CID 107679023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).