N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline

C14H21FN2 — CID 65376483

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline
SMILESCC1CCCC(CN)(Nc2ccccc2F)C1
InChIInChI=1S/C14H21FN2/c1-11-5-4-8-14(9-11,10-16)17-13-7-3-2-6-12(13)15/h2-3,6-7,11,17H,4-5,8-10,16H2,1H3
InChIKeySCOOBEJMFPFSMC-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.15
Rot. Bonds3

About N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline

N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline (PubChem CID 65376483) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline
PubChem CID65376483
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline
SMILESCC1CCCC(CN)(Nc2ccccc2F)C1
InChIInChI=1S/C14H21FN2/c1-11-5-4-8-14(9-11,10-16)17-13-7-3-2-6-12(13)15/h2-3,6-7,11,17H,4-5,8-10,16H2,1H3
InChIKeySCOOBEJMFPFSMC-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoro-4-(trifluoromethyl)aniline
CID 107304201
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethylsulfonylaniline
CID 63760412
4-(aminomethyl)-N-(2-fluorophenyl)-1-methylpiperidin-4-amine
CID 65379189
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline
CID 65379249
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine
CID 116783775
N-[1-(aminomethyl)-3-methylcyclohexyl]pyridazin-3-amine
CID 63761826
N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-2-methylaniline
CID 107429092
N-[1-(aminomethyl)-3-ethylcyclohexyl]-2-chloroaniline
CID 65378135
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-bromoaniline
CID 65384703
[1-(2-fluoroanilino)-3,3,5-trimethylcyclohexyl]methanol
CID 61049933
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methylaniline
CID 65379472
4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide
CID 63759832

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline (CID 65376483) is N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline is CC1CCCC(CN)(Nc2ccccc2F)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline?
The InChIKey is SCOOBEJMFPFSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11-5-4-8-14(9-11,10-16)17-13-7-3-2-6-12(13)15/h2-3,6-7,11,17H,4-5,8-10,16H2,1H3.
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline?
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline has a molecular weight of 236.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline is sourced from PubChem (CID 65376483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).