2-(2-amino-3-methylbutyl)-3-chlorophenol

C11H16ClNO — CID 115347401

IUPAC2-(2-amino-3-methylbutyl)-3-chlorophenol
SMILESCC(C)C(N)Cc1c(O)cccc1Cl
InChIInChI=1S/C11H16ClNO/c1-7(2)10(13)6-8-9(12)4-3-5-11(8)14/h3-5,7,10,14H,6,13H2,1-2H3
InChIKeySUXXVEXEHPLPEX-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.57
Rot. Bonds3

About 2-(2-amino-3-methylbutyl)-3-chlorophenol

2-(2-amino-3-methylbutyl)-3-chlorophenol (PubChem CID 115347401) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(2-amino-3-methylbutyl)-3-chlorophenol.

Molecular Properties

Compound Name2-(2-amino-3-methylbutyl)-3-chlorophenol
PubChem CID115347401
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(2-amino-3-methylbutyl)-3-chlorophenol
SMILESCC(C)C(N)Cc1c(O)cccc1Cl
InChIInChI=1S/C11H16ClNO/c1-7(2)10(13)6-8-9(12)4-3-5-11(8)14/h3-5,7,10,14H,6,13H2,1-2H3
InChIKeySUXXVEXEHPLPEX-UHFFFAOYSA-N
XLogP2.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,6-dichlorophenyl)-1,1-difluoropropan-2-amine
CID 103759791
3-chloro-2-[(3-methylbutan-2-ylamino)methyl]phenol
CID 75361231
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455
1-(2,6-dichlorophenyl)-3-ethoxy-4,4-dimethylpentan-2-amine
CID 116725191
1-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 63351142
3-chloro-2-propylphenol
CID 15747295
2-[(1S)-1-aminopropyl]-3-chlorophenol
CID 55254925
2-amino-3-(2,6-dichlorophenyl)propan-1-ol
CID 18387991
3-chloro-2-[[ethyl(propan-2-yl)amino]methyl]phenol
CID 82977526
3-chloro-2-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol
CID 78959543
4-amino-1-(2,6-dichlorophenyl)pentan-3-ol
CID 83924979
2-(2-aminopropyl)-4-chloro-3-methylphenol
CID 117288922

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylbutyl)-3-chlorophenol?
The IUPAC name of 2-(2-amino-3-methylbutyl)-3-chlorophenol (CID 115347401) is 2-(2-amino-3-methylbutyl)-3-chlorophenol.
What is the SMILES notation for 2-(2-amino-3-methylbutyl)-3-chlorophenol?
The canonical SMILES for 2-(2-amino-3-methylbutyl)-3-chlorophenol is CC(C)C(N)Cc1c(O)cccc1Cl.
What is the InChIKey of 2-(2-amino-3-methylbutyl)-3-chlorophenol?
The InChIKey is SUXXVEXEHPLPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-7(2)10(13)6-8-9(12)4-3-5-11(8)14/h3-5,7,10,14H,6,13H2,1-2H3.
What are the key properties of 2-(2-amino-3-methylbutyl)-3-chlorophenol?
2-(2-amino-3-methylbutyl)-3-chlorophenol has a molecular weight of 213.71 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylbutyl)-3-chlorophenol is sourced from PubChem (CID 115347401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).