2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine

C12H19FN2 — CID 81106111

IUPAC2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine
SMILESCCCN(CCCF)c1ccccc1N
InChIInChI=1S/C12H19FN2/c1-2-9-15(10-5-8-13)12-7-4-3-6-11(12)14/h3-4,6-7H,2,5,8-10,14H2,1H3
InChIKeyFBQLKHXKMVTCAH-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.84
Rot. Bonds6

About 2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine

2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine (PubChem CID 81106111) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine
PubChem CID81106111
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine
SMILESCCCN(CCCF)c1ccccc1N
InChIInChI=1S/C12H19FN2/c1-2-9-15(10-5-8-13)12-7-4-3-6-11(12)14/h3-4,6-7H,2,5,8-10,14H2,1H3
InChIKeyFBQLKHXKMVTCAH-UHFFFAOYSA-N
XLogP2.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-nonyl-2-N-propylbenzene-1,2-diamine
CID 63532032
2-N-[3-(2-methoxyethoxy)propyl]-2-N-propylbenzene-1,2-diamine
CID 103410200
3-(2-amino-N-propylanilino)propanoic acid
CID 63118513
2-(2-amino-N-propylanilino)acetonitrile
CID 63230761
1-N,1-N-dipropylnaphthalene-1,5-diamine
CID 139621321
2-N-[2-(2-methylpropoxy)ethyl]-2-N-propylbenzene-1,2-diamine
CID 106453609
4-N,4-N-dipropylnaphthalene-1,4-diamine
CID 139621295
2-N-[2-(3-methylbutoxy)ethyl]-2-N-propylbenzene-1,2-diamine
CID 55174201
3-(2-amino-N-propylanilino)-N-ethylpropanamide
CID 55174588
2-N-[2-(4-bromophenoxy)ethyl]-2-N-propylbenzene-1,2-diamine
CID 63230197
2-(2-amino-N-propylanilino)-N-butylacetamide
CID 63230533
2-N-[(3-bromo-2,6-difluorophenyl)methyl]-2-N-propylbenzene-1,2-diamine
CID 106264357

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine?
The IUPAC name of 2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine (CID 81106111) is 2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine is CCCN(CCCF)c1ccccc1N.
What is the InChIKey of 2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine?
The InChIKey is FBQLKHXKMVTCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-2-9-15(10-5-8-13)12-7-4-3-6-11(12)14/h3-4,6-7H,2,5,8-10,14H2,1H3.
What are the key properties of 2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine?
2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine has a molecular weight of 210.30 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine is sourced from PubChem (CID 81106111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).