2,6-dichloro-1-N-[5-(diethylamino)pentan-2-yl]benzene-1,4-diamine

C15H25Cl2N3 — CID 106889815

IUPAC2,6-dichloro-1-N-[5-(diethylamino)pentan-2-yl]benzene-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C15H25Cl2N3/c1-4-20(5-2)8-6-7-11(3)19-15-13(16)9-12(18)10-14(15)17/h9-11,19H,4-8,18H2,1-3H3
InChIKeyBGQBOLSXAVVPLT-UHFFFAOYSA-N
MW318.29 g/mol
LogP4.50
Rot. Bonds8

About 2,6-dichloro-1-N-[5-(diethylamino)pentan-2-yl]benzene-1,4-diamine

2,6-dichloro-1-N-[5-(diethylamino)pentan-2-yl]benzene-1,4-diamine (PubChem CID 106889815) has the molecular formula C15H25Cl2N3 and a molecular weight of 318.29 g/mol. Its IUPAC name is 2,6-dichloro-1-N-[5-(diethylamino)pentan-2-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-[5-(diethylamino)pentan-2-yl]benzene-1,4-diamine
PubChem CID106889815
Molecular FormulaC15H25Cl2N3
Molecular Weight318.29 g/mol
Exact Mass317.14
IUPAC Name2,6-dichloro-1-N-[5-(diethylamino)pentan-2-yl]benzene-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C15H25Cl2N3/c1-4-20(5-2)8-6-7-11(3)19-15-13(16)9-12(18)10-14(15)17/h9-11,19H,4-8,18H2,1-3H3
InChIKeyBGQBOLSXAVVPLT-UHFFFAOYSA-N
XLogP4.50
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-Chlorophenyl)piperazine monohydrochloride
CID 25681
1-(2-Chlorophenyl)piperazine
CID 415628
1-(3-Chlorophenyl)piperazine dihydrochloride
CID 11957487
1-(3,5-Dichlorophenyl)piperazine
CID 2736067
3-Chloro-4-(4-methylpiperidin-1-yl)aniline
CID 937604
3-Chloro-4-(piperidin-1-yl)aniline
CID 736350
3,5-Dichloro-N,N-dimethylaniline
CID 643223
Benzenamine, 2-chloro-N-methyl-
CID 136736
N-(3-chloro-4-fluorophenyl)-1-methyl-4-piperidinamine
CID 2846380
1-(2-Chlorophenyl)piperazinium chloride
CID 3017015
4-chloro-N-(2-(diethylamino)ethyl)aniline
CID 224501
3-Chloro-4-(4-methylpiperazin-1-yl)aniline
CID 820343

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-[5-(diethylamino)pentan-2-yl]benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-[5-(diethylamino)pentan-2-yl]benzene-1,4-diamine (CID 106889815) is 2,6-dichloro-1-N-[5-(diethylamino)pentan-2-yl]benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-[5-(diethylamino)pentan-2-yl]benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-[5-(diethylamino)pentan-2-yl]benzene-1,4-diamine is CCN(CC)CCCC(C)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 2,6-dichloro-1-N-[5-(diethylamino)pentan-2-yl]benzene-1,4-diamine?
The InChIKey is BGQBOLSXAVVPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25Cl2N3/c1-4-20(5-2)8-6-7-11(3)19-15-13(16)9-12(18)10-14(15)17/h9-11,19H,4-8,18H2,1-3H3.
What are the key properties of 2,6-dichloro-1-N-[5-(diethylamino)pentan-2-yl]benzene-1,4-diamine?
2,6-dichloro-1-N-[5-(diethylamino)pentan-2-yl]benzene-1,4-diamine has a molecular weight of 318.29 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-[5-(diethylamino)pentan-2-yl]benzene-1,4-diamine is sourced from PubChem (CID 106889815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).