N-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline

C17H27NO2 — CID 62633183

IUPACN-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline
SMILESCOCCOc1cc(C)ccc1NC(C)C1CCCC1
InChIInChI=1S/C17H27NO2/c1-13-8-9-16(17(12-13)20-11-10-19-3)18-14(2)15-6-4-5-7-15/h8-9,12,14-15,18H,4-7,10-11H2,1-3H3
InChIKeyGDVWNVIAANMIJE-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.01
Rot. Bonds7

About N-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline

N-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline (PubChem CID 62633183) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline
PubChem CID62633183
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline
SMILESCOCCOc1cc(C)ccc1NC(C)C1CCCC1
InChIInChI=1S/C17H27NO2/c1-13-8-9-16(17(12-13)20-11-10-19-3)18-14(2)15-6-4-5-7-15/h8-9,12,14-15,18H,4-7,10-11H2,1-3H3
InChIKeyGDVWNVIAANMIJE-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-2-(2-methoxyethoxy)-4-methylaniline
CID 115916601
N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine
CID 60934945
N-[2-(2-methoxyethoxy)-4-methylphenyl]oxolan-3-amine
CID 63335368
N-(1-cyclohexylethyl)-2,4-dimethylaniline
CID 43755727
N-(2,6-dimethylcyclohexyl)-2-(2-methoxyethoxy)-4-methylaniline
CID 63453168
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1,1-dioxothian-4-amine
CID 60934699
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119726878
N-(1-cyclohexylethyl)-6-(2-methoxyethoxy)pyridin-3-amine
CID 43782133
2-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975087
2-ethoxy-4-methyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115929063
2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 107904095
5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine
CID 103389254

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline?
The IUPAC name of N-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline (CID 62633183) is N-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline.
What is the SMILES notation for N-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline?
The canonical SMILES for N-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline is COCCOc1cc(C)ccc1NC(C)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline?
The InChIKey is GDVWNVIAANMIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13-8-9-16(17(12-13)20-11-10-19-3)18-14(2)15-6-4-5-7-15/h8-9,12,14-15,18H,4-7,10-11H2,1-3H3.
What are the key properties of N-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline?
N-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline has a molecular weight of 277.41 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-2-(2-methoxyethoxy)-4-methylaniline is sourced from PubChem (CID 62633183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).