2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine

C16H25FN2O — CID 62569616

IUPAC2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
SMILESCC(CNCC1CCCO1)N(C)Cc1ccccc1F
InChIInChI=1S/C16H25FN2O/c1-13(10-18-11-15-7-5-9-20-15)19(2)12-14-6-3-4-8-16(14)17/h3-4,6,8,13,15,18H,5,7,9-12H2,1-2H3
InChIKeyMORLQTGCJFGUGJ-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.41
Rot. Bonds7

About 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine

2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine (PubChem CID 62569616) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
PubChem CID62569616
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine
SMILESCC(CNCC1CCCO1)N(C)Cc1ccccc1F
InChIInChI=1S/C16H25FN2O/c1-13(10-18-11-15-7-5-9-20-15)19(2)12-14-6-3-4-8-16(14)17/h3-4,6,8,13,15,18H,5,7,9-12H2,1-2H3
InChIKeyMORLQTGCJFGUGJ-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-1-N-(oxolan-2-ylmethyl)-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 62569910
2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpropane-1,2-diamine
CID 55072069
N,N-dimethyl-N'-(oxolan-2-ylmethyl)-1-phenylethane-1,2-diamine
CID 78914378
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-phenylpropan-1-amine
CID 40654008
N-(oxolan-2-ylmethyl)-2-phenylpropan-1-amine
CID 3366630
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 95167614
2-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 113150938
4-N-[(2-fluorophenyl)methyl]-1-N,4-N-bis(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189937
2-(2-methylsulfanylphenoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 63649409
methyl 3-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 78964080
2-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]-1-phenylethanol
CID 42836975
2-N-ethyl-1-N,2-N-bis(oxolan-2-ylmethyl)propane-1,2-diamine
CID 62568854

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine (CID 62569616) is 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine is CC(CNCC1CCCO1)N(C)Cc1ccccc1F.
What is the InChIKey of 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
The InChIKey is MORLQTGCJFGUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-13(10-18-11-15-7-5-9-20-15)19(2)12-14-6-3-4-8-16(14)17/h3-4,6,8,13,15,18H,5,7,9-12H2,1-2H3.
What are the key properties of 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine?
2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine has a molecular weight of 280.39 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-fluorophenyl)methyl]-2-N-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 62569616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).