N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine

C14H23FN2 — CID 115252833

IUPACN-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(CNCc1cccc(F)c1)C(C)C
InChIInChI=1S/C14H23FN2/c1-11(2)13(9-16-3)10-17-8-12-5-4-6-14(15)7-12/h4-7,11,13,16-17H,8-10H2,1-3H3
InChIKeyBFWNABZPOPVTKE-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.41
Rot. Bonds7

About N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine

N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 115252833) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID115252833
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCNCC(CNCc1cccc(F)c1)C(C)C
InChIInChI=1S/C14H23FN2/c1-11(2)13(9-16-3)10-17-8-12-5-4-6-14(15)7-12/h4-7,11,13,16-17H,8-10H2,1-3H3
InChIKeyBFWNABZPOPVTKE-UHFFFAOYSA-N
XLogP2.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-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-[[(3-fluorophenyl)methylamino]methyl]-3-methylbutan-1-ol
CID 115252092
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890
N-[(3-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757618
1-(3-fluorophenyl)-N-methylmethanamine;methane
CID 144941396
1-[(3-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631776
N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43085072
N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252801
(2R)-4-[(3-fluorophenyl)methylamino]butan-2-ol
CID 96500370
2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 62718818
N-[(3-fluorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 60977027
1-(2-ethyl-3-methylbutyl)-3-fluorobenzene
CID 139973435
1-N-[(3-fluorophenyl)methyl]-2-N,2-N-dimethylbutane-1,2-diamine;hydrochloride
CID 115595836

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine (CID 115252833) is N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine is CNCC(CNCc1cccc(F)c1)C(C)C.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is BFWNABZPOPVTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-11(2)13(9-16-3)10-17-8-12-5-4-6-14(15)7-12/h4-7,11,13,16-17H,8-10H2,1-3H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 115252833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).