2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine

C15H25F2N3 — CID 102991239

IUPAC2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine
SMILESCCN(CC)CCCN(CC)c1c(N)ccc(F)c1F
InChIInChI=1S/C15H25F2N3/c1-4-19(5-2)10-7-11-20(6-3)15-13(18)9-8-12(16)14(15)17/h8-9H,4-7,10-11,18H2,1-3H3
InChIKeyPLTQUHUSWIWTQE-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.11
Rot. Bonds8

About 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine

2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine (PubChem CID 102991239) has the molecular formula C15H25F2N3 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine
PubChem CID102991239
Molecular FormulaC15H25F2N3
Molecular Weight285.38 g/mol
Exact Mass285.20
IUPAC Name2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine
SMILESCCN(CC)CCCN(CC)c1c(N)ccc(F)c1F
InChIInChI=1S/C15H25F2N3/c1-4-19(5-2)10-7-11-20(6-3)15-13(18)9-8-12(16)14(15)17/h8-9H,4-7,10-11,18H2,1-3H3
InChIKeyPLTQUHUSWIWTQE-UHFFFAOYSA-N
XLogP3.11
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-ethyl-3,4-difluoro-2-N-propylbenzene-1,2-diamine
CID 62531626
3-(6-amino-N-ethyl-2,3-difluoroanilino)propanenitrile
CID 62532506
2-N-[3-(diethylamino)propyl]-2-N-ethyl-4-fluorobenzene-1,2-diamine
CID 102991223
2-N-[3-(diethylamino)propyl]-3,4-difluorobenzene-1,2-diamine
CID 62531613
3,4-difluoro-2-N,2-N-bis(2-methoxyethyl)benzene-1,2-diamine
CID 62531981
3-amino-2-[3-(diethylamino)propyl-ethylamino]benzoic acid
CID 102995981
2-[2-(diethylamino)ethoxy]-3,4-difluoroaniline
CID 62533946
3-N-[3-(diethylamino)propyl]-3-N-ethyl-2-methylbenzene-1,3-diamine
CID 102991274
4-N-[3-(diethylamino)propyl]-4-N-ethyl-2-methoxybenzene-1,4-diamine
CID 102991287
4-bromo-1-N-[3-(diethylamino)propyl]-1-N-ethyl-5-fluorobenzene-1,2-diamine
CID 102991268
2-N-ethyl-3,4-difluoro-2-N-(4-fluorophenyl)benzene-1,2-diamine
CID 62533529
3,4-difluoro-2-N-methyl-2-N-propan-2-ylbenzene-1,2-diamine
CID 62533650

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine?
The IUPAC name of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine (CID 102991239) is 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine is CCN(CC)CCCN(CC)c1c(N)ccc(F)c1F.
What is the InChIKey of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine?
The InChIKey is PLTQUHUSWIWTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2N3/c1-4-19(5-2)10-7-11-20(6-3)15-13(18)9-8-12(16)14(15)17/h8-9H,4-7,10-11,18H2,1-3H3.
What are the key properties of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine?
2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine has a molecular weight of 285.38 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine is sourced from PubChem (CID 102991239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).