N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine

C15H26FN3 — CID 65384194

IUPACN-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
SMILESCCN(CC)CCNC(CN)c1ccc(F)cc1C
InChIInChI=1S/C15H26FN3/c1-4-19(5-2)9-8-18-15(11-17)14-7-6-13(16)10-12(14)3/h6-7,10,15,18H,4-5,8-9,11,17H2,1-3H3
InChIKeyYYQDRPSZQSNKIL-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.07
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine

N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine (PubChem CID 65384194) has the molecular formula C15H26FN3 and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
PubChem CID65384194
Molecular FormulaC15H26FN3
Molecular Weight267.39 g/mol
Exact Mass267.21
IUPAC NameN-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
SMILESCCN(CC)CCNC(CN)c1ccc(F)cc1C
InChIInChI=1S/C15H26FN3/c1-4-19(5-2)9-8-18-15(11-17)14-7-6-13(16)10-12(14)3/h6-7,10,15,18H,4-5,8-9,11,17H2,1-3H3
InChIKeyYYQDRPSZQSNKIL-UHFFFAOYSA-N
XLogP2.07
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine (CID 65384194) is N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine is CCN(CC)CCNC(CN)c1ccc(F)cc1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
The InChIKey is YYQDRPSZQSNKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3/c1-4-19(5-2)9-8-18-15(11-17)14-7-6-13(16)10-12(14)3/h6-7,10,15,18H,4-5,8-9,11,17H2,1-3H3.
What are the key properties of N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine?
N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine has a molecular weight of 267.39 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 65384194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).