N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline

C18H30N2O — CID 63059852

IUPACN-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline
SMILESCCN(c1ccc(CNCCOC)cc1C)C1CCCC1
InChIInChI=1S/C18H30N2O/c1-4-20(17-7-5-6-8-17)18-10-9-16(13-15(18)2)14-19-11-12-21-3/h9-10,13,17,19H,4-8,11-12,14H2,1-3H3
InChIKeyJGTODBNDVFNHDS-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.50
Rot. Bonds8

About N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline

N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline (PubChem CID 63059852) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline.

Molecular Properties

Compound NameN-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline
PubChem CID63059852
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline
SMILESCCN(c1ccc(CNCCOC)cc1C)C1CCCC1
InChIInChI=1S/C18H30N2O/c1-4-20(17-7-5-6-8-17)18-10-9-16(13-15(18)2)14-19-11-12-21-3/h9-10,13,17,19H,4-8,11-12,14H2,1-3H3
InChIKeyJGTODBNDVFNHDS-UHFFFAOYSA-N
XLogP3.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline
CID 107399906
N-cyclopentyl-N-ethyl-2-methyl-4-[(propan-2-ylamino)methyl]aniline
CID 63553009
N-cyclohexyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63059978
N-cyclopentyl-2-fluoro-4-[(2-methoxyethylamino)methyl]-N-methylaniline
CID 63061084
N-cyclohexyl-N-ethyl-5-[(2-methoxyethylamino)methyl]pyridin-2-amine
CID 80632112
N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methyl-N-propylaniline
CID 63060006
N-(2-methoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
CID 63060791
3-[N-cyclobutyl-2-methyl-4-(propylaminomethyl)anilino]propan-1-ol
CID 102864620
3-chloro-N-cyclopentyl-N-ethyl-2-[(2-methoxyethylamino)methyl]aniline
CID 63059854
2-[N-cyclopentyl-4-(ethylaminomethyl)-2-methylanilino]acetamide
CID 62122770
2-[N-cyclopropyl-2-fluoro-4-[(2-methoxyethylamino)methyl]anilino]ethanol
CID 63071679
N-(2-ethoxyethyl)-4-[(2-methoxyethylamino)methyl]-N,2-dimethylaniline
CID 81056925

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline?
The IUPAC name of N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline (CID 63059852) is N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline.
What is the SMILES notation for N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline?
The canonical SMILES for N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline is CCN(c1ccc(CNCCOC)cc1C)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline?
The InChIKey is JGTODBNDVFNHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-20(17-7-5-6-8-17)18-10-9-16(13-15(18)2)14-19-11-12-21-3/h9-10,13,17,19H,4-8,11-12,14H2,1-3H3.
What are the key properties of N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline?
N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline has a molecular weight of 290.45 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-ethyl-4-[(2-methoxyethylamino)methyl]-2-methylaniline is sourced from PubChem (CID 63059852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).