1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine

C15H25FN2O — CID 81074159

IUPAC1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
SMILESCC(C)OCCN(C)CCC(N)c1ccccc1F
InChIInChI=1S/C15H25FN2O/c1-12(2)19-11-10-18(3)9-8-15(17)13-6-4-5-7-14(13)16/h4-7,12,15H,8-11,17H2,1-3H3
InChIKeySZCCACIIEMCHOL-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.57
Rot. Bonds8

About 1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine

1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine (PubChem CID 81074159) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
PubChem CID81074159
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
SMILESCC(C)OCCN(C)CCC(N)c1ccccc1F
InChIInChI=1S/C15H25FN2O/c1-12(2)19-11-10-18(3)9-8-15(17)13-6-4-5-7-14(13)16/h4-7,12,15H,8-11,17H2,1-3H3
InChIKeySZCCACIIEMCHOL-UHFFFAOYSA-N
XLogP2.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(dimethylamino)ethyl]-1-(2-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 63699831
1-(2-fluorophenyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65487482
1-(2-fluorophenyl)-N'-methyl-N'-pentylpropane-1,3-diamine
CID 62645170
1-(2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 62644975
1-(2-fluorophenyl)-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 114058268
(1R)-1-(2-fluorophenyl)-4-methylpentan-1-amine
CID 94457975
1-(2-bromophenyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 62625043
1-(2-fluorophenyl)-N'-(2-methoxyethyl)-N',2-dimethylpropane-1,3-diamine
CID 112679868
N'-butyl-N'-cyclopropyl-1-(2-fluorophenyl)propane-1,3-diamine
CID 62645216
N'-methyl-N-phenyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81055583
2-(2-fluorophenyl)-2-(2-propan-2-yloxyethoxy)ethanamine
CID 55018888
1-(2-fluorophenyl)-N'-methyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643010

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine?
The IUPAC name of 1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine (CID 81074159) is 1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine?
The canonical SMILES for 1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine is CC(C)OCCN(C)CCC(N)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine?
The InChIKey is SZCCACIIEMCHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-12(2)19-11-10-18(3)9-8-15(17)13-6-4-5-7-14(13)16/h4-7,12,15H,8-11,17H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine?
1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine has a molecular weight of 268.38 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine is sourced from PubChem (CID 81074159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).