N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine

C13H21FN2 — CID 81079897

IUPACN'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine
SMILESCC(CN)CCN(C)Cc1ccccc1F
InChIInChI=1S/C13H21FN2/c1-11(9-15)7-8-16(2)10-12-5-3-4-6-13(12)14/h3-6,11H,7-10,15H2,1-2H3
InChIKeyYUGFSRMUGKMKBU-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.24
Rot. Bonds6

About N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine

N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine (PubChem CID 81079897) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine
PubChem CID81079897
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC NameN'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine
SMILESCC(CN)CCN(C)Cc1ccccc1F
InChIInChI=1S/C13H21FN2/c1-11(9-15)7-8-16(2)10-12-5-3-4-6-13(12)14/h3-6,11H,7-10,15H2,1-2H3
InChIKeyYUGFSRMUGKMKBU-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-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-N-[(2-fluorophenyl)methyl]-1-N,4,4-trimethylpentane-1,3-diamine
CID 55098522
4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 81070310
2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 65233471
3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 60647903
N'-[(2-fluorophenyl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 43575716
N'-[(2-fluorophenyl)methyl]-N'-methyl-1-phenylbutane-1,4-diamine
CID 63321890
5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide
CID 82012605
3-[(2-fluorophenyl)methyl-methylamino]propan-1-ol
CID 60674294
N'-[(2-fluorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 43374430
3-chloro-N-[(2-fluorophenyl)methyl]-N-methylpropan-1-amine
CID 61412579
N',N'-diethyl-N-[(2-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 783899
N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine
CID 61412231

Frequently Asked Questions

What is the IUPAC name of N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine?
The IUPAC name of N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine (CID 81079897) is N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine is CC(CN)CCN(C)Cc1ccccc1F.
What is the InChIKey of N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine?
The InChIKey is YUGFSRMUGKMKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-11(9-15)7-8-16(2)10-12-5-3-4-6-13(12)14/h3-6,11H,7-10,15H2,1-2H3.
What are the key properties of N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine?
N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-fluorophenyl)methyl]-N',2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 81079897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).