2-N-[(3-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine

C15H25FN2 — CID 43751604

IUPAC2-N-[(3-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCc1cccc(F)c1
InChIInChI=1S/C15H25FN2/c1-12(2)8-15(11-18(3)4)17-10-13-6-5-7-14(16)9-13/h5-7,9,12,15,17H,8,10-11H2,1-4H3
InChIKeyVMOPYNFPMSENPC-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.89
Rot. Bonds7

About 2-N-[(3-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine

2-N-[(3-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 43751604) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-N-[(3-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID43751604
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name2-N-[(3-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)NCc1cccc(F)c1
InChIInChI=1S/C15H25FN2/c1-12(2)8-15(11-18(3)4)17-10-13-6-5-7-14(16)9-13/h5-7,9,12,15,17H,8,10-11H2,1-4H3
InChIKeyVMOPYNFPMSENPC-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-N-[(3-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-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

2-N-[(3-fluoro-4-methylphenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 63646229
2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093303
2-N-[(3-chloro-2-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 114487462
2-bromo-4-[[[1-(dimethylamino)-4-methylpentan-2-yl]amino]methyl]phenol
CID 63047104
3-(3-fluorophenyl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244646
N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43085072
(2R)-2-[(3-fluorophenyl)methylamino]butan-1-ol
CID 28723169
1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine
CID 43792387
N-[(3-bromophenyl)methyl]-2,6-dimethylheptan-4-amine
CID 63454056
1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631776
N-[(3-fluorophenyl)methyl]-1-methylsulfanylbutan-2-amine
CID 115900017
1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43123250

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-[(3-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 43751604) is 2-N-[(3-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-[(3-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine is CC(C)CC(CN(C)C)NCc1cccc(F)c1.
What is the InChIKey of 2-N-[(3-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is VMOPYNFPMSENPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-12(2)8-15(11-18(3)4)17-10-13-6-5-7-14(16)9-13/h5-7,9,12,15,17H,8,10-11H2,1-4H3.
What are the key properties of 2-N-[(3-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine?
2-N-[(3-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 252.38 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-fluorophenyl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 43751604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).