N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline

C15H24N2O — CID 65383362

IUPACN-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline
SMILESCCC1CCC(CN)(Nc2ccccc2OC)C1
InChIInChI=1S/C15H24N2O/c1-3-12-8-9-15(10-12,11-16)17-13-6-4-5-7-14(13)18-2/h4-7,12,17H,3,8-11,16H2,1-2H3
InChIKeyCLEDMLCSNQWRIC-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.01
Rot. Bonds5

About N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline

N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline (PubChem CID 65383362) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline
PubChem CID65383362
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline
SMILESCCC1CCC(CN)(Nc2ccccc2OC)C1
InChIInChI=1S/C15H24N2O/c1-3-12-8-9-15(10-12,11-16)17-13-6-4-5-7-14(13)18-2/h4-7,12,17H,3,8-11,16H2,1-2H3
InChIKeyCLEDMLCSNQWRIC-UHFFFAOYSA-N
XLogP3.01
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-ethyl-1-(2-methoxyanilino)cyclopentane-1-carboxylate
CID 64513805
N-[1-(aminomethyl)-3-ethylcyclohexyl]-2-chloroaniline
CID 65378135
4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide
CID 60996320
[1-(2-bromoanilino)-3-ethylcyclopentyl]methanol
CID 64514078
[1-(2-methoxyanilino)-4-propan-2-ylcyclohexyl]methanol
CID 62704863
[4-ethyl-1-[(2-methoxyphenyl)methyl]cyclohexyl]methanamine
CID 65394529
3-ethyl-1-[(2-methoxyphenyl)methyl]cyclopentan-1-amine
CID 64514568
[1-(2-methoxyanilino)-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754690
1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid
CID 60994309
[1-(aminomethyl)-3-ethylcyclopentyl]-(2,3-dimethoxyphenyl)methanol
CID 79123387
4-(aminomethyl)-N-(2-methoxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105365215
[1-cyclopropyl-3-(2-methoxyanilino)pyrrolidin-3-yl]methanol
CID 62975143

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline?
The IUPAC name of N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline (CID 65383362) is N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline?
The canonical SMILES for N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline is CCC1CCC(CN)(Nc2ccccc2OC)C1.
What is the InChIKey of N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline?
The InChIKey is CLEDMLCSNQWRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-12-8-9-15(10-12,11-16)17-13-6-4-5-7-14(13)18-2/h4-7,12,17H,3,8-11,16H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline?
N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline has a molecular weight of 248.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-ethylcyclopentyl]-2-methoxyaniline is sourced from PubChem (CID 65383362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).