[3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine

C14H14F2N2 — CID 116936966

IUPAC[3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine
SMILESNCc1cccc(C(N)c2cc(F)ccc2F)c1
InChIInChI=1S/C14H14F2N2/c15-11-4-5-13(16)12(7-11)14(18)10-3-1-2-9(6-10)8-17/h1-7,14H,8,17-18H2
InChIKeyCTFQKFDYNYQRIN-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.47
Rot. Bonds3

About [3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine

[3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine (PubChem CID 116936966) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is [3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine
PubChem CID116936966
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name[3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine
SMILESNCc1cccc(C(N)c2cc(F)ccc2F)c1
InChIInChI=1S/C14H14F2N2/c15-11-4-5-13(16)12(7-11)14(18)10-3-1-2-9(6-10)8-17/h1-7,14H,8,17-18H2
InChIKeyCTFQKFDYNYQRIN-UHFFFAOYSA-N
XLogP2.47
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 116952168
3-[amino-(2,5-difluorophenyl)methyl]benzoic acid
CID 116938710
(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 63672562
(2-fluoro-5-methylphenyl)-(3-propylphenyl)methanamine
CID 105050249
(3-chlorophenyl)-(2,4-difluorophenyl)methanamine
CID 43197760
[(2,5-difluorophenyl)-(3-ethylphenyl)methyl]hydrazine
CID 105219304
1-[4-(aminomethyl)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 116952228
(2,6-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197833
(4-chloro-2,5-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 105050632
[3-(aminomethyl)phenyl]-(4-methylsulfanylphenyl)methanamine
CID 116936981
[4-(aminomethyl)phenyl]-(3,4-difluorophenyl)methanamine
CID 116937056
3-[amino-(2,4-difluorophenyl)methyl]aniline
CID 116936583

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine?
The IUPAC name of [3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine (CID 116936966) is [3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine.
What is the SMILES notation for [3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine?
The canonical SMILES for [3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine is NCc1cccc(C(N)c2cc(F)ccc2F)c1.
What is the InChIKey of [3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine?
The InChIKey is CTFQKFDYNYQRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c15-11-4-5-13(16)12(7-11)14(18)10-3-1-2-9(6-10)8-17/h1-7,14H,8,17-18H2.
What are the key properties of [3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine?
[3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine has a molecular weight of 248.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine is sourced from PubChem (CID 116936966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).