N-[(4-aminocyclohexyl)methyl]-3,5-difluoroaniline

C13H18F2N2 — CID 59230383

IUPACN-[(4-aminocyclohexyl)methyl]-3,5-difluoroaniline
SMILESNC1CCC(CNc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C13H18F2N2/c14-10-5-11(15)7-13(6-10)17-8-9-1-3-12(16)4-2-9/h5-7,9,12,17H,1-4,8,16H2
InChIKeyIYXFQEAKLBSDRU-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.89
Rot. Bonds3

About N-[(4-aminocyclohexyl)methyl]-3,5-difluoroaniline

N-[(4-aminocyclohexyl)methyl]-3,5-difluoroaniline (PubChem CID 59230383) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-3,5-difluoroaniline.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-3,5-difluoroaniline
PubChem CID59230383
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC NameN-[(4-aminocyclohexyl)methyl]-3,5-difluoroaniline
SMILESNC1CCC(CNc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C13H18F2N2/c14-10-5-11(15)7-13(6-10)17-8-9-1-3-12(16)4-2-9/h5-7,9,12,17H,1-4,8,16H2
InChIKeyIYXFQEAKLBSDRU-UHFFFAOYSA-N
XLogP2.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-3,5-difluoroaniline?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-3,5-difluoroaniline (CID 59230383) is N-[(4-aminocyclohexyl)methyl]-3,5-difluoroaniline.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-3,5-difluoroaniline?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-3,5-difluoroaniline is NC1CCC(CNc2cc(F)cc(F)c2)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-3,5-difluoroaniline?
The InChIKey is IYXFQEAKLBSDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c14-10-5-11(15)7-13(6-10)17-8-9-1-3-12(16)4-2-9/h5-7,9,12,17H,1-4,8,16H2.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-3,5-difluoroaniline?
N-[(4-aminocyclohexyl)methyl]-3,5-difluoroaniline has a molecular weight of 240.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-3,5-difluoroaniline is sourced from PubChem (CID 59230383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).