N'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine

C16H27FN2 — CID 63502082

IUPACN'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine
SMILESCCCCN(CCNc1ccccc1F)C(C)CC
InChIInChI=1S/C16H27FN2/c1-4-6-12-19(14(3)5-2)13-11-18-16-10-8-7-9-15(16)17/h7-10,14,18H,4-6,11-13H2,1-3H3
InChIKeyNCRGPJHHIKTTMD-UHFFFAOYSA-N
MW266.40 g/mol
LogP4.14
Rot. Bonds9

About N'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine

N'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine (PubChem CID 63502082) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is N'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine
PubChem CID63502082
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC NameN'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine
SMILESCCCCN(CCNc1ccccc1F)C(C)CC
InChIInChI=1S/C16H27FN2/c1-4-6-12-19(14(3)5-2)13-11-18-16-10-8-7-9-15(16)17/h7-10,14,18H,4-6,11-13H2,1-3H3
InChIKeyNCRGPJHHIKTTMD-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)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

Related Compounds

N-(2-fluorophenyl)-N'-propan-2-yl-N'-propylethane-1,2-diamine
CID 55089691
N'-butan-2-yl-N'-butyl-N-(2-chlorophenyl)ethane-1,2-diamine
CID 55195116
N-butyl-3-(2-fluoroanilino)-N-methylpropanamide
CID 109032361
N-(2-fluorophenyl)-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 62558241
N-(2-bromophenyl)-N'-butan-2-yl-N'-ethylethane-1,2-diamine
CID 62561481
N-(2-butan-2-yloxyethyl)-2-fluoroaniline
CID 62584548
N'-(1-cyclopropylethyl)-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 62560256
N'-(cyclopropylmethyl)-N-(2-fluorophenyl)-N'-propylethane-1,2-diamine
CID 62555695
N'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 62575062
N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 54806556
N-butan-2-yl-N-butyl-2-(2-fluorophenyl)acetamide
CID 78805640
N'-butan-2-yl-N'-butyl-N-ethyl-1-phenylpropane-1,3-diamine
CID 63493603

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine (CID 63502082) is N'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine is CCCCN(CCNc1ccccc1F)C(C)CC.
What is the InChIKey of N'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine?
The InChIKey is NCRGPJHHIKTTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-4-6-12-19(14(3)5-2)13-11-18-16-10-8-7-9-15(16)17/h7-10,14,18H,4-6,11-13H2,1-3H3.
What are the key properties of N'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine?
N'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine has a molecular weight of 266.40 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N'-butyl-N-(2-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 63502082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).