4-(2,6-dichlorophenyl)pentan-1-amine

C11H15Cl2N — CID 83924946

IUPAC4-(2,6-dichlorophenyl)pentan-1-amine
SMILESCC(CCCN)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2N/c1-8(4-3-7-14)11-9(12)5-2-6-10(11)13/h2,5-6,8H,3-4,7,14H2,1H3
InChIKeyLTEGDBNQKPEOSI-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.84
Rot. Bonds4

About 4-(2,6-dichlorophenyl)pentan-1-amine

4-(2,6-dichlorophenyl)pentan-1-amine (PubChem CID 83924946) has the molecular formula C11H15Cl2N and a molecular weight of 232.15 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)pentan-1-amine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)pentan-1-amine
PubChem CID83924946
Molecular FormulaC11H15Cl2N
Molecular Weight232.15 g/mol
Exact Mass231.06
IUPAC Name4-(2,6-dichlorophenyl)pentan-1-amine
SMILESCC(CCCN)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2N/c1-8(4-3-7-14)11-9(12)5-2-6-10(11)13/h2,5-6,8H,3-4,7,14H2,1H3
InChIKeyLTEGDBNQKPEOSI-UHFFFAOYSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-chloro-6-fluorophenyl)pentan-1-amine
CID 83925264
(1S)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171217426
(1R)-1-(2,6-dichlorophenyl)butane-1,4-diamine;hydrochloride
CID 171197917
2-(5-aminopentan-2-yl)-3-methylphenol
CID 83923785
(1S)-1-(2-chloro-6-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171219678
4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine
CID 104683345
4-amino-1-(2,3-dichlorophenyl)butan-1-ol
CID 54426127
(1S)-1-(2-chloro-6-methylphenyl)propane-1,3-diamine
CID 130854028
2-amino-N-[2-(2,6-dichlorophenyl)propyl]acetamide
CID 119315000
3-(6-chloro-2,3-difluorophenyl)butan-1-amine
CID 130512226
1-(2,6-dichlorophenyl)-4-methylpentan-1-amine
CID 112704553
1,3-dichloro-2-propan-2-ylbenzene
CID 14028117

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenyl)pentan-1-amine?
The IUPAC name of 4-(2,6-dichlorophenyl)pentan-1-amine (CID 83924946) is 4-(2,6-dichlorophenyl)pentan-1-amine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)pentan-1-amine?
The canonical SMILES for 4-(2,6-dichlorophenyl)pentan-1-amine is CC(CCCN)c1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2,6-dichlorophenyl)pentan-1-amine?
The InChIKey is LTEGDBNQKPEOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N/c1-8(4-3-7-14)11-9(12)5-2-6-10(11)13/h2,5-6,8H,3-4,7,14H2,1H3.
What are the key properties of 4-(2,6-dichlorophenyl)pentan-1-amine?
4-(2,6-dichlorophenyl)pentan-1-amine has a molecular weight of 232.15 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)pentan-1-amine is sourced from PubChem (CID 83924946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).