3-(2,4-dichlorophenyl)pentan-3-amine

C11H15Cl2N — CID 60987757

IUPAC3-(2,4-dichlorophenyl)pentan-3-amine
SMILESCCC(N)(CC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2N/c1-3-11(14,4-2)9-6-5-8(12)7-10(9)13/h5-7H,3-4,14H2,1-2H3
InChIKeyJYQVXOIVDORDIL-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.97
Rot. Bonds3

About 3-(2,4-dichlorophenyl)pentan-3-amine

3-(2,4-dichlorophenyl)pentan-3-amine (PubChem CID 60987757) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)pentan-3-amine.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)pentan-3-amine
PubChem CID60987757
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name3-(2,4-dichlorophenyl)pentan-3-amine
SMILESCCC(N)(CC)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2N/c1-3-11(14,4-2)9-6-5-8(12)7-10(9)13/h5-7H,3-4,14H2,1-2H3
InChIKeyJYQVXOIVDORDIL-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-(2,5-dichlorophenyl)pentan-3-amine
CID 62791781
3-(2-chlorophenyl)pentan-3-amine
CID 61029804
(2S)-2-(2,5-dichlorophenyl)butan-2-amine
CID 130054976
2-(2,4-dichlorophenyl)-1,1,1-trifluorobutan-2-ol
CID 83957607
(2R)-2-(2,4-dichlorophenyl)-3-methylbutan-2-amine
CID 131150424
2-(2,4-dichlorophenyl)-2-propylpentan-1-amine
CID 63515518
3-(2-chloro-5-fluorophenyl)pentan-3-amine
CID 105394104
(2R)-2-(2,4-dichlorophenyl)-2-fluoropropan-1-amine
CID 124567259
2-(2,4-dichlorophenyl)propan-2-ol
CID 67803482
2-(2,4-dichlorophenyl)-2-methylpropane-1-sulfonyl chloride
CID 82308452
ethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate
CID 118647040
1-amino-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 67599120

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)pentan-3-amine?
The IUPAC name of 3-(2,4-dichlorophenyl)pentan-3-amine (CID 60987757) is 3-(2,4-dichlorophenyl)pentan-3-amine.
What is the SMILES notation for 3-(2,4-dichlorophenyl)pentan-3-amine?
The canonical SMILES for 3-(2,4-dichlorophenyl)pentan-3-amine is CCC(N)(CC)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)pentan-3-amine?
The InChIKey is JYQVXOIVDORDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N/c1-3-11(14,4-2)9-6-5-8(12)7-10(9)13/h5-7H,3-4,14H2,1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)pentan-3-amine?
3-(2,4-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-(2,4-dichlorophenyl)pentan-3-amine is sourced from PubChem (CID 60987757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).