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

C12H19FN2 — CID 116950529

IUPAC1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCNC(CNC(C)C)c1cccc(F)c1
InChIInChI=1S/C12H19FN2/c1-9(2)15-8-12(14-3)10-5-4-6-11(13)7-10/h4-7,9,12,14-15H,8H2,1-3H3
InChIKeyWPCYNWHKGIZVRY-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.08
Rot. Bonds5

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

1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 116950529) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID116950529
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
SMILESCNC(CNC(C)C)c1cccc(F)c1
InChIInChI=1S/C12H19FN2/c1-9(2)15-8-12(14-3)10-5-4-6-11(13)7-10/h4-7,9,12,14-15H,8H2,1-3H3
InChIKeyWPCYNWHKGIZVRY-UHFFFAOYSA-N
XLogP2.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
2-(3-fluorophenyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 79440674
1-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 62607548
1-(3-fluorophenyl)-2-(3-fluorophenyl)sulfanyl-N-methylethanamine
CID 66072488
1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 62644803
2-butan-2-ylsulfanyl-1-(3-fluorophenyl)-N-methylethanamine
CID 65136489
2-(2-fluorophenyl)-1-(3-fluorophenyl)-N-methylethanamine
CID 54945904
1-(3-fluorophenyl)-N-methylheptan-1-amine
CID 62607373
1-(3-fluorophenyl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105092686
N-[2-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 62110751
5-(3-fluorophenyl)-5-(methylamino)pentan-2-one
CID 116956231
N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine
CID 79573891

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine (CID 116950529) is 1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine is CNC(CNC(C)C)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is WPCYNWHKGIZVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-9(2)15-8-12(14-3)10-5-4-6-11(13)7-10/h4-7,9,12,14-15H,8H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine?
1-(3-fluorophenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 210.30 g/mol, XLogP of 2.08, 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-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 116950529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).