1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine

C13H20ClNO — CID 60907849

IUPAC1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine
SMILESCCC(C)Oc1ccc(Cl)cc1CC(C)N
InChIInChI=1S/C13H20ClNO/c1-4-10(3)16-13-6-5-12(14)8-11(13)7-9(2)15/h5-6,8-10H,4,7,15H2,1-3H3
InChIKeyBZCGWMFCOUMHHM-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.41
Rot. Bonds5

About 1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine

1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine (PubChem CID 60907849) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine
PubChem CID60907849
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine
SMILESCCC(C)Oc1ccc(Cl)cc1CC(C)N
InChIInChI=1S/C13H20ClNO/c1-4-10(3)16-13-6-5-12(14)8-11(13)7-9(2)15/h5-6,8-10H,4,7,15H2,1-3H3
InChIKeyBZCGWMFCOUMHHM-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105520
2-[2-(2-aminopropyl)-4-chlorophenoxy]-N-ethylpropanamide
CID 54929160
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine
CID 63561705
2-[2-(2-aminopropyl)-4-chlorophenoxy]acetonitrile
CID 60907852
1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine
CID 114862724
1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine
CID 114863110
1-[5-chloro-2-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-amine
CID 54928974
1-(2-butan-2-yloxy-4-methoxyphenyl)propan-2-amine
CID 61269298
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine
CID 63421655
1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine
CID 82922401
1-[5-chloro-2-(2-methylsulfonylethoxy)phenyl]propan-2-amine
CID 54937433

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine?
The IUPAC name of 1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine (CID 60907849) is 1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine?
The canonical SMILES for 1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine is CCC(C)Oc1ccc(Cl)cc1CC(C)N.
What is the InChIKey of 1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine?
The InChIKey is BZCGWMFCOUMHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-4-10(3)16-13-6-5-12(14)8-11(13)7-9(2)15/h5-6,8-10H,4,7,15H2,1-3H3.
What are the key properties of 1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine?
1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine has a molecular weight of 241.76 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine is sourced from PubChem (CID 60907849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).