4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline

C17H20F2N2 — CID 63050914

IUPAC4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline
SMILESCC(C)N(Cc1ccccc1)c1c(F)cc(CN)cc1F
InChIInChI=1S/C17H20F2N2/c1-12(2)21(11-13-6-4-3-5-7-13)17-15(18)8-14(10-20)9-16(17)19/h3-9,12H,10-11,20H2,1-2H3
InChIKeyALBKLYSRDPUIIB-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.84
Rot. Bonds5

About 4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline

4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline (PubChem CID 63050914) has the molecular formula C17H20F2N2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline
PubChem CID63050914
Molecular FormulaC17H20F2N2
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline
SMILESCC(C)N(Cc1ccccc1)c1c(F)cc(CN)cc1F
InChIInChI=1S/C17H20F2N2/c1-12(2)21(11-13-6-4-3-5-7-13)17-15(18)8-14(10-20)9-16(17)19/h3-9,12H,10-11,20H2,1-2H3
InChIKeyALBKLYSRDPUIIB-UHFFFAOYSA-N
XLogP3.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-benzyl-3-fluoro-N-propan-2-ylaniline
CID 79515468
4-(aminomethyl)-2,6-difluoro-N-pentyl-N-propan-2-ylaniline
CID 55148129
4-(aminomethyl)-N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylaniline
CID 82915692
5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine
CID 80633350
2-N-benzyl-4-fluoro-5-iodo-2-N-propan-2-ylbenzene-1,2-diamine
CID 66102006
2-N-benzyl-2-N-propan-2-ylpyrimidine-2,5-diamine
CID 61145774
3-N-benzyl-2-methyl-3-N-propan-2-ylbenzene-1,3-diamine
CID 63075720
[4-[benzyl(propan-2-yl)amino]-2-pyridinyl]methanol
CID 61254549
2,6-difluoro-1-N-(2-methylpropyl)-1-N-propan-2-ylbenzene-1,4-diamine
CID 55001105
4-(1-aminoethyl)-N-benzyl-N-propan-2-ylaniline
CID 43188769
2-(2-aminoethyl)-N-benzyl-3-chloro-N-propan-2-ylaniline
CID 63784223
N-benzyl-3-fluoro-2-nitro-N-propan-2-ylaniline
CID 62665423

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline?
The IUPAC name of 4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline (CID 63050914) is 4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline?
The canonical SMILES for 4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline is CC(C)N(Cc1ccccc1)c1c(F)cc(CN)cc1F.
What is the InChIKey of 4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline?
The InChIKey is ALBKLYSRDPUIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2/c1-12(2)21(11-13-6-4-3-5-7-13)17-15(18)8-14(10-20)9-16(17)19/h3-9,12H,10-11,20H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline?
4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline has a molecular weight of 290.36 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-benzyl-2,6-difluoro-N-propan-2-ylaniline is sourced from PubChem (CID 63050914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).