3-(2,5-dichlorophenyl)pentan-3-amine

C11H15Cl2N — CID 62791781

IUPAC3-(2,5-dichlorophenyl)pentan-3-amine
SMILESCCC(N)(CC)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2N/c1-3-11(14,4-2)9-7-8(12)5-6-10(9)13/h5-7H,3-4,14H2,1-2H3
InChIKeyPYZKVMRJKCWIDP-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.97
Rot. Bonds3

About 3-(2,5-dichlorophenyl)pentan-3-amine

3-(2,5-dichlorophenyl)pentan-3-amine (PubChem CID 62791781) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)pentan-3-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)pentan-3-amine
PubChem CID62791781
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name3-(2,5-dichlorophenyl)pentan-3-amine
SMILESCCC(N)(CC)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H15Cl2N/c1-3-11(14,4-2)9-7-8(12)5-6-10(9)13/h5-7H,3-4,14H2,1-2H3
InChIKeyPYZKVMRJKCWIDP-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dichlorophenyl)pentan-3-amine
CID 60987757
(2S)-2-(2,5-dichlorophenyl)butan-2-amine
CID 130054976
3-(2-chloro-5-fluorophenyl)pentan-3-amine
CID 105394104
3-(2-chlorophenyl)pentan-3-amine
CID 61029804
(2R)-2-amino-2-(2,5-dichlorophenyl)propanenitrile
CID 30123245
1-amino-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 67599120
1-cyclopropyl-1-(2,5-dichlorophenyl)ethanamine
CID 115003193
1-(2,4-dichloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63408241
1-(2,5-dichlorophenyl)-1-(4-methylphenyl)ethanamine
CID 62787808
2-(2,5-dichlorophenyl)-2-fluoro-3-methylbutan-1-amine
CID 112566767
1-(4-bromophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 55186959
2-amino-1-(2,5-dichlorophenyl)-2-methylbutan-1-one
CID 116590355

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)pentan-3-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)pentan-3-amine (CID 62791781) is 3-(2,5-dichlorophenyl)pentan-3-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)pentan-3-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)pentan-3-amine is CCC(N)(CC)c1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(2,5-dichlorophenyl)pentan-3-amine?
The InChIKey is PYZKVMRJKCWIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N/c1-3-11(14,4-2)9-7-8(12)5-6-10(9)13/h5-7H,3-4,14H2,1-2H3.
What are the key properties of 3-(2,5-dichlorophenyl)pentan-3-amine?
3-(2,5-dichlorophenyl)pentan-3-amine has a molecular weight of 232.15 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)pentan-3-amine is sourced from PubChem (CID 62791781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).