(3-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine

C14H13FN2O2 — CID 43825493

IUPAC(3-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
SMILESCc1cc(C(N)c2cccc(F)c2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H13FN2O2/c1-9-5-11(8-13(6-9)17(18)19)14(16)10-3-2-4-12(15)7-10/h2-8,14H,16H2,1H3
InChIKeyNGUCXKNKRJNROT-UHFFFAOYSA-N
MW260.27 g/mol
LogP3.09
Rot. Bonds3

About (3-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine

(3-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine (PubChem CID 43825493) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is (3-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine.

Molecular Properties

Compound Name(3-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
PubChem CID43825493
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name(3-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
SMILESCc1cc(C(N)c2cccc(F)c2)cc([N+](=O)[O-])c1
InChIInChI=1S/C14H13FN2O2/c1-9-5-11(8-13(6-9)17(18)19)14(16)10-3-2-4-12(15)7-10/h2-8,14H,16H2,1H3
InChIKeyNGUCXKNKRJNROT-UHFFFAOYSA-N
XLogP3.09
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3,4-difluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
CID 43825521
(2-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine
CID 43825498
(2-methoxyphenyl)-(3-methyl-5-nitrophenyl)methanamine
CID 43825492
3-[amino-(3-fluoro-5-methylphenyl)methyl]-N,N-dimethylaniline
CID 105169951
2-methyl-1-(3-methyl-5-nitrophenyl)-2-phenylpropan-1-amine
CID 43825519
(3-chloro-5-nitrophenyl)-(3,4-dimethylphenyl)methanamine
CID 43824984
(3-fluoro-5-methylphenyl)-(4-methylphenyl)methanamine
CID 79704327
(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine
CID 66423670
1-(3-nitrophenyl)ethanamine;hydrochloride
CID 23105088
N'-(3-methyl-5-nitrophenyl)-1-phenylpropane-1,3-diamine
CID 115981556
(4-chloro-3-fluorophenyl)-(3-fluoro-5-methylphenyl)methanamine
CID 107994515
N-[2-amino-2-(3-fluorophenyl)ethyl]-N-methyl-4-nitrobenzenesulfonamide
CID 66716549

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine?
The IUPAC name of (3-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine (CID 43825493) is (3-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine.
What is the SMILES notation for (3-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine?
The canonical SMILES for (3-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine is Cc1cc(C(N)c2cccc(F)c2)cc([N+](=O)[O-])c1.
What is the InChIKey of (3-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine?
The InChIKey is NGUCXKNKRJNROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-9-5-11(8-13(6-9)17(18)19)14(16)10-3-2-4-12(15)7-10/h2-8,14H,16H2,1H3.
What are the key properties of (3-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine?
(3-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine has a molecular weight of 260.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(3-methyl-5-nitrophenyl)methanamine is sourced from PubChem (CID 43825493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).