N-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine

C13H21FN2 — CID 43272751

IUPACN-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
SMILESCCC(C)N(C)C(CN)c1ccc(F)cc1
InChIInChI=1S/C13H21FN2/c1-4-10(2)16(3)13(9-15)11-5-7-12(14)8-6-11/h5-8,10,13H,4,9,15H2,1-3H3
InChIKeyRTIWMPSZWXESPX-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.56
Rot. Bonds5

About N-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine

N-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine (PubChem CID 43272751) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is N-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
PubChem CID43272751
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC NameN-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine
SMILESCCC(C)N(C)C(CN)c1ccc(F)cc1
InChIInChI=1S/C13H21FN2/c1-4-10(2)16(3)13(9-15)11-5-7-12(14)8-6-11/h5-8,10,13H,4,9,15H2,1-3H3
InChIKeyRTIWMPSZWXESPX-UHFFFAOYSA-N
XLogP2.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-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

1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-N-methylethane-1,2-diamine
CID 54946554
1-(4-fluorophenyl)-N-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43271936
1-(4-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 43271043
1-[4-(difluoromethyl)phenyl]-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 115524252
N-butan-2-yl-N-methyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 43272724
N-methyl-1-(4-methylphenyl)-N-pentan-2-ylethane-1,2-diamine
CID 43571950
N-butan-2-yl-1-(5-chloro-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 114842864
1-(3,4-difluorophenyl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43571841
3-[[2-amino-1-(4-fluorophenyl)ethyl]-methylamino]-2-methylpropanenitrile
CID 55016728
N-methyl-1-(4-methylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 16786109
4-[1-[butan-2-yl(methyl)amino]propyl]phenol
CID 82977219
1-(4-bromo-2-fluorophenyl)-N-butan-2-yl-N-methylethane-1,2-diamine
CID 43272757

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine (CID 43272751) is N-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine is CCC(C)N(C)C(CN)c1ccc(F)cc1.
What is the InChIKey of N-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine?
The InChIKey is RTIWMPSZWXESPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-4-10(2)16(3)13(9-15)11-5-7-12(14)8-6-11/h5-8,10,13H,4,9,15H2,1-3H3.
What are the key properties of N-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine?
N-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(4-fluorophenyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 43272751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).