N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine

C16H25FN2 — CID 107878018

IUPACN-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine
SMILESCCN(Cc1ccc(F)c(CN)c1)C1CCCCC1
InChIInChI=1S/C16H25FN2/c1-2-19(15-6-4-3-5-7-15)12-13-8-9-16(17)14(10-13)11-18/h8-10,15H,2-7,11-12,18H2,1H3
InChIKeyFXKZRVFNTZSPDU-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.44
Rot. Bonds5

About N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine

N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine (PubChem CID 107878018) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine
PubChem CID107878018
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine
SMILESCCN(Cc1ccc(F)c(CN)c1)C1CCCCC1
InChIInChI=1S/C16H25FN2/c1-2-19(15-6-4-3-5-7-15)12-13-8-9-16(17)14(10-13)11-18/h8-10,15H,2-7,11-12,18H2,1H3
InChIKeyFXKZRVFNTZSPDU-UHFFFAOYSA-N
XLogP3.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol
CID 107878292
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methylcyclobutanamine
CID 107878648
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 107878305
N-[(4-aminophenyl)methyl]-N-ethylcycloheptanamine
CID 82929453
4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79116008
4-[[cyclohexyl(ethyl)amino]methyl]-3-fluoroaniline
CID 64768453
N-[[5-(aminomethyl)-2-fluorophenyl]methyl]-N-propylcyclopropanamine
CID 43270092
[4-[[cyclohexyl(ethyl)amino]methyl]phenyl]methanol
CID 110008184
3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43459100
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-methyloxolan-3-amine
CID 107878596
3-(aminomethyl)-N-cyclopentyl-N-ethyl-4-fluorobenzenesulfonamide
CID 63287839
N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine
CID 112818440

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine?
The IUPAC name of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine (CID 107878018) is N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine.
What is the SMILES notation for N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine?
The canonical SMILES for N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine is CCN(Cc1ccc(F)c(CN)c1)C1CCCCC1.
What is the InChIKey of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine?
The InChIKey is FXKZRVFNTZSPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-2-19(15-6-4-3-5-7-15)12-13-8-9-16(17)14(10-13)11-18/h8-10,15H,2-7,11-12,18H2,1H3.
What are the key properties of N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine?
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine has a molecular weight of 264.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-ethylcyclohexanamine is sourced from PubChem (CID 107878018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).