N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine

C14H23FN2 — CID 112679793

IUPACN',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
SMILESCCN(CC)CC(C)C(N)c1ccccc1F
InChIInChI=1S/C14H23FN2/c1-4-17(5-2)10-11(3)14(16)12-8-6-7-9-13(12)15/h6-9,11,14H,4-5,10,16H2,1-3H3
InChIKeyNVJJDMYLIULIMZ-UHFFFAOYSA-N
MW238.35 g/mol
LogP2.80
Rot. Bonds6

About N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine

N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine (PubChem CID 112679793) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
PubChem CID112679793
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC NameN',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
SMILESCCN(CC)CC(C)C(N)c1ccccc1F
InChIInChI=1S/C14H23FN2/c1-4-17(5-2)10-11(3)14(16)12-8-6-7-9-13(12)15/h6-9,11,14H,4-5,10,16H2,1-3H3
InChIKeyNVJJDMYLIULIMZ-UHFFFAOYSA-N
XLogP2.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-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-amino-3-(2-fluorophenyl)-2-methylpropyl]-ethylamino]ethanol
CID 112679850
1-(2-fluorophenyl)-N',2-dimethyl-N'-phenylpropane-1,3-diamine
CID 115996681
N,N',N'-triethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine
CID 112679791
N',N'-diethyl-1-(2-fluorophenyl)-2-methyl-N-propylpropane-1,3-diamine
CID 115996675
N'-cyclohexyl-1-(2-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 115996703
2-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-propan-2-ylamino]ethanol
CID 112679871
1-(2-fluorophenyl)-N'-(2-methoxyethyl)-N',2-dimethylpropane-1,3-diamine
CID 112679868
1-(2-fluorophenyl)-3-methyl-2-phenylpentan-1-amine
CID 115828079
N,N-diethyl-2-[(1R)-1-(2-fluorophenyl)ethyl]sulfanylethanamine
CID 97320003
1-[[3-amino-3-(2-fluorophenyl)-2-methylpropyl]-methylamino]-3-methoxypropan-2-ol
CID 115996898
1-(2-fluorophenyl)-N',2-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 115996768
1-(2-fluorophenyl)-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 115996861

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine?
The IUPAC name of N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine (CID 112679793) is N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine is CCN(CC)CC(C)C(N)c1ccccc1F.
What is the InChIKey of N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine?
The InChIKey is NVJJDMYLIULIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-4-17(5-2)10-11(3)14(16)12-8-6-7-9-13(12)15/h6-9,11,14H,4-5,10,16H2,1-3H3.
What are the key properties of N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine?
N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine has a molecular weight of 238.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-1-(2-fluorophenyl)-2-methylpropane-1,3-diamine is sourced from PubChem (CID 112679793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).