3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine

C16H19FN2 — CID 115127029

IUPAC3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine
SMILESCCCc1ccc(N(C)c2cccc(F)c2N)cc1
InChIInChI=1S/C16H19FN2/c1-3-5-12-8-10-13(11-9-12)19(2)15-7-4-6-14(17)16(15)18/h4,6-11H,3,5,18H2,1-2H3
InChIKeySJRCXGRHYNCJNJ-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.13
Rot. Bonds4

About 3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine

3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine (PubChem CID 115127029) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine
PubChem CID115127029
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine
SMILESCCCc1ccc(N(C)c2cccc(F)c2N)cc1
InChIInChI=1S/C16H19FN2/c1-3-5-12-8-10-13(11-9-12)19(2)15-7-4-6-14(17)16(15)18/h4,6-11H,3,5,18H2,1-2H3
InChIKeySJRCXGRHYNCJNJ-UHFFFAOYSA-N
XLogP4.13
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.13
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

1-N-(4-ethoxyphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 115127036
3-fluoro-1-N-methyl-1-N-pyridin-4-ylbenzene-1,2-diamine
CID 115127058
N-[4-(aminomethyl)phenyl]-N-methyl-4-propylaniline
CID 117041612
1-N-(3,5-dimethylphenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 62002994
3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine
CID 115127057
3-fluoro-1-N-methyl-1-N-(1H-pyrrol-3-yl)benzene-1,2-diamine
CID 115127044
1-N-(2-bromophenyl)-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 115127062
1-N-butan-2-yl-3-fluoro-1-N-methylbenzene-1,2-diamine
CID 60788942
1,2-difluoro-3-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 142739583
N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline
CID 63786695
1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
CID 157362668
2-amino-3-(4-fluoro-N-methylanilino)benzenesulfonamide
CID 115992611

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine?
The IUPAC name of 3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine (CID 115127029) is 3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine is CCCc1ccc(N(C)c2cccc(F)c2N)cc1.
What is the InChIKey of 3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine?
The InChIKey is SJRCXGRHYNCJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c1-3-5-12-8-10-13(11-9-12)19(2)15-7-4-6-14(17)16(15)18/h4,6-11H,3,5,18H2,1-2H3.
What are the key properties of 3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine?
3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine has a molecular weight of 258.34 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-N-methyl-1-N-(4-propylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 115127029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).