[4-(aminomethyl)phenyl]-(3,4-difluorophenyl)methanamine

C14H14F2N2 — CID 116937056

IUPAC[4-(aminomethyl)phenyl]-(3,4-difluorophenyl)methanamine
SMILESNCc1ccc(C(N)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H14F2N2/c15-12-6-5-11(7-13(12)16)14(18)10-3-1-9(8-17)2-4-10/h1-7,14H,8,17-18H2
InChIKeyACIARLIEJIYNTD-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.47
Rot. Bonds3

About [4-(aminomethyl)phenyl]-(3,4-difluorophenyl)methanamine

[4-(aminomethyl)phenyl]-(3,4-difluorophenyl)methanamine (PubChem CID 116937056) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(3,4-difluorophenyl)methanamine.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(3,4-difluorophenyl)methanamine
PubChem CID116937056
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name[4-(aminomethyl)phenyl]-(3,4-difluorophenyl)methanamine
SMILESNCc1ccc(C(N)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C14H14F2N2/c15-12-6-5-11(7-13(12)16)14(18)10-3-1-9(8-17)2-4-10/h1-7,14H,8,17-18H2
InChIKeyACIARLIEJIYNTD-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

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Related Compounds

(3,4-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543886
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
[4-(3,4-difluorophenyl)phenyl]methanamine
CID 61033518
[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-(3,4-difluorophenyl)methanamine
CID 66873509
(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
CID 124654147
(3,4-difluorophenyl)-(4-propoxyphenyl)methanamine
CID 62796286
1-[4-(aminomethyl)phenyl]-2-(3,4-difluorophenoxy)ethanol
CID 43554706
3-[amino-(3,4-difluorophenyl)methyl]benzoic acid
CID 116938711
[3-(aminomethyl)phenyl]-(4-propylphenyl)methanamine
CID 116936956
[3-(aminomethyl)phenyl]-(4-methylsulfanylphenyl)methanamine
CID 116936981
2-(3,4-difluorophenyl)butan-1-amine
CID 82075197
(R)-(3,4-difluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171229652

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(3,4-difluorophenyl)methanamine?
The IUPAC name of [4-(aminomethyl)phenyl]-(3,4-difluorophenyl)methanamine (CID 116937056) is [4-(aminomethyl)phenyl]-(3,4-difluorophenyl)methanamine.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(3,4-difluorophenyl)methanamine?
The canonical SMILES for [4-(aminomethyl)phenyl]-(3,4-difluorophenyl)methanamine is NCc1ccc(C(N)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(3,4-difluorophenyl)methanamine?
The InChIKey is ACIARLIEJIYNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c15-12-6-5-11(7-13(12)16)14(18)10-3-1-9(8-17)2-4-10/h1-7,14H,8,17-18H2.
What are the key properties of [4-(aminomethyl)phenyl]-(3,4-difluorophenyl)methanamine?
[4-(aminomethyl)phenyl]-(3,4-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 [4-(aminomethyl)phenyl]-(3,4-difluorophenyl)methanamine is sourced from PubChem (CID 116937056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).