3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine

C14H15FN2 — CID 39247780

IUPAC3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine
SMILESCN(Cc1ccccc1F)c1cccc(N)c1
InChIInChI=1S/C14H15FN2/c1-17(13-7-4-6-12(16)9-13)10-11-5-2-3-8-14(11)15/h2-9H,10,16H2,1H3
InChIKeyRBWRNCUNRVELHP-UHFFFAOYSA-N
MW230.29 g/mol
LogP3.04
Rot. Bonds3

About 3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine

3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine (PubChem CID 39247780) has the molecular formula C14H15FN2 and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine
PubChem CID39247780
Molecular FormulaC14H15FN2
Molecular Weight230.29 g/mol
Exact Mass230.12
IUPAC Name3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine
SMILESCN(Cc1ccccc1F)c1cccc(N)c1
InChIInChI=1S/C14H15FN2/c1-17(13-7-4-6-12(16)9-13)10-11-5-2-3-8-14(11)15/h2-9H,10,16H2,1H3
InChIKeyRBWRNCUNRVELHP-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 53.04
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

3-N-ethyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-diamine
CID 39348291
3-[(2-fluorophenyl)methyl-methylamino]benzonitrile
CID 47078108
3-N-methyl-3-N-[(2,4,5-trimethylphenyl)methyl]benzene-1,3-diamine
CID 117040974
4-N-[(2,3-difluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 43658941
2-amino-5-[(2-fluorophenyl)methyl-methylamino]benzoic acid
CID 61413060
1-N-[(2-fluorophenyl)methyl]-2-iodo-1-N-methylbenzene-1,4-diamine
CID 66094772
2-ethoxy-4-N-[(2-fluorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 63672171
2-[2-amino-5-[(2-fluorophenyl)methyl-methylamino]phenyl]acetonitrile
CID 102623910
3-N-methyl-3-N-[(2-methylquinolin-4-yl)methyl]benzene-1,3-diamine
CID 79231162
3-fluoro-4-[(2-fluoro-N-methylanilino)methyl]aniline
CID 64768467
3-N-methyl-3-N-(pyrimidin-2-ylmethyl)benzene-1,3-diamine
CID 62698436
2-fluoro-6-[(3-fluoro-N-methylanilino)methyl]phenol
CID 112616216

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine (CID 39247780) is 3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine is CN(Cc1ccccc1F)c1cccc(N)c1.
What is the InChIKey of 3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine?
The InChIKey is RBWRNCUNRVELHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2/c1-17(13-7-4-6-12(16)9-13)10-11-5-2-3-8-14(11)15/h2-9H,10,16H2,1H3.
What are the key properties of 3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine?
3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine has a molecular weight of 230.29 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 39247780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).