1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine

C13H20ClNO — CID 114321739

IUPAC1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
SMILESCC(C)COc1cccc(Cl)c1CC(C)N
InChIInChI=1S/C13H20ClNO/c1-9(2)8-16-13-6-4-5-12(14)11(13)7-10(3)15/h4-6,9-10H,7-8,15H2,1-3H3
InChIKeyDJFRDCHAUVYBMF-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.26
Rot. Bonds5

About 1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine

1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine (PubChem CID 114321739) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
PubChem CID114321739
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
SMILESCC(C)COc1cccc(Cl)c1CC(C)N
InChIInChI=1S/C13H20ClNO/c1-9(2)8-16-13-6-4-5-12(14)11(13)7-10(3)15/h4-6,9-10H,7-8,15H2,1-3H3
InChIKeyDJFRDCHAUVYBMF-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine
CID 114321838
1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine
CID 114321772
1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine
CID 113277136
1-[2-chloro-6-(4-ethoxyphenoxy)phenyl]propan-2-amine
CID 63816825
1-[2-[(2-bromophenyl)methoxy]-6-chlorophenyl]propan-2-amine
CID 114321926
ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate
CID 114321887
1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
CID 113277151
1-[2-chloro-6-[(3,5-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 105407334
1-[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]propan-2-amine
CID 114321819
1-[2-chloro-6-(3-ethoxyphenoxy)phenyl]propan-2-amine
CID 63802149
1-[2-chloro-6-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-amine
CID 114321854
1-[2-chloro-6-(2,2-difluoroethoxy)phenyl]butan-2-amine
CID 114321969

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine (CID 114321739) is 1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine is CC(C)COc1cccc(Cl)c1CC(C)N.
What is the InChIKey of 1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine?
The InChIKey is DJFRDCHAUVYBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-9(2)8-16-13-6-4-5-12(14)11(13)7-10(3)15/h4-6,9-10H,7-8,15H2,1-3H3.
What are the key properties of 1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine?
1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine has a molecular weight of 241.76 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine is sourced from PubChem (CID 114321739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).