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

C13H21FN2 — CID 116960290

IUPAC1-(3-fluorophenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCNC(c1cccc(F)c1)C(CN)C(C)C
InChIInChI=1S/C13H21FN2/c1-9(2)12(8-15)13(16-3)10-5-4-6-11(14)7-10/h4-7,9,12-13,16H,8,15H2,1-3H3
InChIKeyLRPPYHWDEMNKOD-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.32
Rot. Bonds5

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

1-(3-fluorophenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 116960290) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID116960290
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name1-(3-fluorophenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCNC(c1cccc(F)c1)C(CN)C(C)C
InChIInChI=1S/C13H21FN2/c1-9(2)12(8-15)13(16-3)10-5-4-6-11(14)7-10/h4-7,9,12-13,16H,8,15H2,1-3H3
InChIKeyLRPPYHWDEMNKOD-UHFFFAOYSA-N
XLogP2.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methylsulfanylphenyl)-2-propan-2-ylpropane-1,3-diamine
CID 116960272
[1-(3-fluorophenyl)-2,3-dimethylbutyl]hydrazine
CID 105285597
2-cyclopropyl-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 115792103
2,2-diethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 79496374
(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 7127584
3,3-bis(3-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 22708359
2-[(3-fluorophenyl)-(methylamino)methyl]butanoic acid
CID 116959736
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
1-(3-fluorophenyl)-3-methylbutane-1,4-diamine
CID 116934242
3-(3-fluorophenyl)-N-methylpentan-2-amine
CID 114873130
1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol
CID 65190542
1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950529

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine (CID 116960290) is 1-(3-fluorophenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine is CNC(c1cccc(F)c1)C(CN)C(C)C.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is LRPPYHWDEMNKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-9(2)12(8-15)13(16-3)10-5-4-6-11(14)7-10/h4-7,9,12-13,16H,8,15H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine?
1-(3-fluorophenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-methyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 116960290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).