3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine

C16H27FN2 — CID 84746068

IUPAC3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
SMILESCCCN(CCC)C(C)(CN)Cc1ccccc1F
InChIInChI=1S/C16H27FN2/c1-4-10-19(11-5-2)16(3,13-18)12-14-8-6-7-9-15(14)17/h6-9H,4-5,10-13,18H2,1-3H3
InChIKeyULKBSLNSDWQTGR-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.21
Rot. Bonds8

About 3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine

3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine (PubChem CID 84746068) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
PubChem CID84746068
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
SMILESCCCN(CCC)C(C)(CN)Cc1ccccc1F
InChIInChI=1S/C16H27FN2/c1-4-10-19(11-5-2)16(3,13-18)12-14-8-6-7-9-15(14)17/h6-9H,4-5,10-13,18H2,1-3H3
InChIKeyULKBSLNSDWQTGR-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-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-methyl-3-(2-methylphenyl)-2-N,2-N-dipropylpropane-1,2-diamine
CID 84752095
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
2-[(2-fluorophenyl)methyl]-2-methylbutan-1-amine
CID 62725307
3-(4-chlorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine
CID 84752089
2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831034
3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol
CID 114835046
2-N,2-N-diethyl-2-methyl-3-naphthalen-1-ylpropane-1,2-diamine
CID 84746535
2-N-[(2-fluorophenyl)methyl]-2-N,2-dimethylnonane-1,2-diamine
CID 63470423
2-methyl-2-N-(4-phenylbutyl)-2-N-propylbutane-1,2-diamine
CID 114333063
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
3-(2-fluorophenyl)-2-N,2-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 114831111
N'-[(2,3-difluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79659974

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine?
The IUPAC name of 3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine (CID 84746068) is 3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine.
What is the SMILES notation for 3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine?
The canonical SMILES for 3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine is CCCN(CCC)C(C)(CN)Cc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine?
The InChIKey is ULKBSLNSDWQTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-4-10-19(11-5-2)16(3,13-18)12-14-8-6-7-9-15(14)17/h6-9H,4-5,10-13,18H2,1-3H3.
What are the key properties of 3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine?
3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-methyl-2-N,2-N-dipropylpropane-1,2-diamine is sourced from PubChem (CID 84746068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).