1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine

C14H22ClNO — CID 62105520

IUPAC1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine
SMILESCCC(C)COc1ccc(Cl)cc1CC(C)N
InChIInChI=1S/C14H22ClNO/c1-4-10(2)9-17-14-6-5-13(15)8-12(14)7-11(3)16/h5-6,8,10-11H,4,7,9,16H2,1-3H3
InChIKeyPSVQSHYPDBDQEX-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.65
Rot. Bonds6

About 1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine

1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine (PubChem CID 62105520) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine
PubChem CID62105520
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine
SMILESCCC(C)COc1ccc(Cl)cc1CC(C)N
InChIInChI=1S/C14H22ClNO/c1-4-10(2)9-17-14-6-5-13(15)8-12(14)7-11(3)16/h5-6,8,10-11H,4,7,9,16H2,1-3H3
InChIKeyPSVQSHYPDBDQEX-UHFFFAOYSA-N
XLogP3.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-butan-2-yloxy-5-chlorophenyl)propan-2-amine
CID 60907849
N-[[5-chloro-2-(2-methylbutoxy)phenyl]methyl]propan-2-amine
CID 63501502
2-[2-(2-aminopropyl)-4-chlorophenoxy]acetonitrile
CID 60907852
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
1-[5-chloro-2-(2-methylsulfonylethoxy)phenyl]propan-2-amine
CID 54937433
1-[5-chloro-2-(3-methylbutoxy)phenyl]butan-2-amine
CID 63421655
1-[5-chloro-2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-2-amine
CID 114862724
1-[3-ethoxy-4-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105521
1-[5-chloro-2-[(2,4-difluorophenyl)methoxy]phenyl]propan-2-amine
CID 62196739
1-(5-chloro-2-methoxyphenyl)-2-methylpentan-3-amine
CID 63561705
3-(5-chloro-2-ethoxyphenyl)-2-methylpropane-1-thiol
CID 83933217
1-[5-chloro-2-(3,4-difluorophenoxy)phenyl]propan-2-amine
CID 114863110

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine (CID 62105520) is 1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine is CCC(C)COc1ccc(Cl)cc1CC(C)N.
What is the InChIKey of 1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine?
The InChIKey is PSVQSHYPDBDQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-10(2)9-17-14-6-5-13(15)8-12(14)7-11(3)16/h5-6,8,10-11H,4,7,9,16H2,1-3H3.
What are the key properties of 1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine?
1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine has a molecular weight of 255.79 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine is sourced from PubChem (CID 62105520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).