N-[2-(2-cyclopropylethoxy)ethyl]-2-methylaniline

C14H21NO — CID 106206284

IUPACN-[2-(2-cyclopropylethoxy)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCOCCC1CC1
InChIInChI=1S/C14H21NO/c1-12-4-2-3-5-14(12)15-9-11-16-10-8-13-6-7-13/h2-5,13,15H,6-11H2,1H3
InChIKeyLSIOYUDHFNRLHI-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.22
Rot. Bonds7

About N-[2-(2-cyclopropylethoxy)ethyl]-2-methylaniline

N-[2-(2-cyclopropylethoxy)ethyl]-2-methylaniline (PubChem CID 106206284) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[2-(2-cyclopropylethoxy)ethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-(2-cyclopropylethoxy)ethyl]-2-methylaniline
PubChem CID106206284
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[2-(2-cyclopropylethoxy)ethyl]-2-methylaniline
SMILESCc1ccccc1NCCOCCC1CC1
InChIInChI=1S/C14H21NO/c1-12-4-2-3-5-14(12)15-9-11-16-10-8-13-6-7-13/h2-5,13,15H,6-11H2,1H3
InChIKeyLSIOYUDHFNRLHI-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]aniline
CID 112590089
2-chloro-N-[2-(2-cyclobutylethoxy)ethyl]aniline
CID 106206391
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]aniline
CID 106450230
2-methyl-N-[2-(2-methylbutan-2-yloxy)ethyl]aniline
CID 62598994
4-[2-(cyclopropylmethoxy)ethylamino]-3-methylbenzoic acid
CID 114098189
N-benzyl-2-(2-cyclopropylethoxy)ethanamine
CID 106206256
2-[2-(2-methylanilino)ethoxy]ethyl butanoate
CID 102065090
2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 60679505
N-[2-(3-methoxypropoxy)ethyl]-2,3-dimethylaniline
CID 103178461
N-(2-cyclopropylethyl)-2-(2-methoxyethyl)aniline
CID 102847355
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylaniline
CID 60679438
N-[2-(2-methoxyphenoxy)ethyl]-2-methylaniline
CID 62570750

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylethoxy)ethyl]-2-methylaniline?
The IUPAC name of N-[2-(2-cyclopropylethoxy)ethyl]-2-methylaniline (CID 106206284) is N-[2-(2-cyclopropylethoxy)ethyl]-2-methylaniline.
What is the SMILES notation for N-[2-(2-cyclopropylethoxy)ethyl]-2-methylaniline?
The canonical SMILES for N-[2-(2-cyclopropylethoxy)ethyl]-2-methylaniline is Cc1ccccc1NCCOCCC1CC1.
What is the InChIKey of N-[2-(2-cyclopropylethoxy)ethyl]-2-methylaniline?
The InChIKey is LSIOYUDHFNRLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12-4-2-3-5-14(12)15-9-11-16-10-8-13-6-7-13/h2-5,13,15H,6-11H2,1H3.
What are the key properties of N-[2-(2-cyclopropylethoxy)ethyl]-2-methylaniline?
N-[2-(2-cyclopropylethoxy)ethyl]-2-methylaniline has a molecular weight of 219.33 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropylethoxy)ethyl]-2-methylaniline is sourced from PubChem (CID 106206284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).