N-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline

C14H14F2N2 — CID 117041619

IUPACN-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline
SMILESCN(c1ccc(CN)cc1)c1cc(F)ccc1F
InChIInChI=1S/C14H14F2N2/c1-18(12-5-2-10(9-17)3-6-12)14-8-11(15)4-7-13(14)16/h2-8H,9,17H2,1H3
InChIKeyVDLLZYCFBKOWKV-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.19
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline

N-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline (PubChem CID 117041619) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline
PubChem CID117041619
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC NameN-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline
SMILESCN(c1ccc(CN)cc1)c1cc(F)ccc1F
InChIInChI=1S/C14H14F2N2/c1-18(12-5-2-10(9-17)3-6-12)14-8-11(15)4-7-13(14)16/h2-8H,9,17H2,1H3
InChIKeyVDLLZYCFBKOWKV-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoro-N-methylaniline
CID 115213176
4-(aminomethyl)-2-chloro-N-(4-fluorophenyl)-N-methylaniline
CID 78924390
1-N-(4-ethylphenyl)-4-fluoro-1-N-methylbenzene-1,2-diamine
CID 62001859
N-[4-(aminomethyl)phenyl]-3-fluoro-4-methoxy-N-methylaniline
CID 117041608
N-[4-(2-aminoethyl)phenyl]-3-fluoro-N-methylaniline
CID 63786695
4-(aminomethyl)-N-(4-ethylphenyl)-N,2-dimethylaniline
CID 55209345
ethane;(4-fluorophenyl)methanamine
CID 142071105
N-[4-(aminomethyl)phenyl]-N,2,3,4-tetramethylaniline
CID 117041651
4-(aminomethyl)-N-(4-ethylphenyl)-3-fluoro-N-methylaniline
CID 115366816
4-(aminomethyl)-2-bromo-N-(4-ethylphenyl)-N-methylaniline
CID 103871280
4-(aminomethyl)-N-[2-(3-fluorophenyl)ethyl]-N-methylaniline
CID 117041691
[4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 115213240

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline (CID 117041619) is N-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline is CN(c1ccc(CN)cc1)c1cc(F)ccc1F.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline?
The InChIKey is VDLLZYCFBKOWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-18(12-5-2-10(9-17)3-6-12)14-8-11(15)4-7-13(14)16/h2-8H,9,17H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline?
N-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline has a molecular weight of 248.28 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2,5-difluoro-N-methylaniline is sourced from PubChem (CID 117041619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).