1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine

C15H23Cl2NO — CID 63421886

IUPAC1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine
SMILESCCCC(C)COc1c(Cl)cc(Cl)cc1CC(C)N
InChIInChI=1S/C15H23Cl2NO/c1-4-5-10(2)9-19-15-12(6-11(3)18)7-13(16)8-14(15)17/h7-8,10-11H,4-6,9,18H2,1-3H3
InChIKeyDRUYLPDXKKEYFZ-UHFFFAOYSA-N
MW304.26 g/mol
LogP4.70
Rot. Bonds7

About 1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine

1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine (PubChem CID 63421886) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is 1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine
PubChem CID63421886
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC Name1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine
SMILESCCCC(C)COc1c(Cl)cc(Cl)cc1CC(C)N
InChIInChI=1S/C15H23Cl2NO/c1-4-5-10(2)9-19-15-12(6-11(3)18)7-13(16)8-14(15)17/h7-8,10-11H,4-6,9,18H2,1-3H3
InChIKeyDRUYLPDXKKEYFZ-UHFFFAOYSA-N
XLogP4.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
1-[2-(2-butoxyethoxy)-3,5-dichlorophenyl]propan-2-amine
CID 61483531
1-[5-chloro-3-methoxy-2-(2-methylpentoxy)phenyl]butan-2-amine
CID 104667125
[3,5-dichloro-2-(2-methylbutoxy)phenyl]methanamine
CID 62104008
1-(3,5-dichloro-2-phenylmethoxyphenyl)propan-2-amine
CID 60907532
1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170894134
1-[3,5-dichloro-2-(3-methylbut-3-enoxy)phenyl]propan-2-amine
CID 114476284
1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine
CID 63421756
1-(bromomethyl)-3,5-dichloro-2-(2,4-dimethylpentoxy)benzene
CID 114200333
1-(5-chloro-3-methoxy-2-propoxyphenyl)propan-2-amine
CID 104666968
1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105520
1-(5-tert-butyl-3-chloro-2-ethoxyphenyl)propan-2-amine
CID 170891411

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine (CID 63421886) is 1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine is CCCC(C)COc1c(Cl)cc(Cl)cc1CC(C)N.
What is the InChIKey of 1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine?
The InChIKey is DRUYLPDXKKEYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-4-5-10(2)9-19-15-12(6-11(3)18)7-13(16)8-14(15)17/h7-8,10-11H,4-6,9,18H2,1-3H3.
What are the key properties of 1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine?
1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine has a molecular weight of 304.26 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine is sourced from PubChem (CID 63421886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).