3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline

C14H22N2O — CID 18327476

IUPAC3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline
SMILESCc1cc(N)cc(C)c1OCCN1CCCC1
InChIInChI=1S/C14H22N2O/c1-11-9-13(15)10-12(2)14(11)17-8-7-16-5-3-4-6-16/h9-10H,3-8,15H2,1-2H3
InChIKeyUNMJRFZZIYYUBL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.36
Rot. Bonds4

About 3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline

3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline (PubChem CID 18327476) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline.

Molecular Properties

Compound Name3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline
PubChem CID18327476
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline
SMILESCc1cc(N)cc(C)c1OCCN1CCCC1
InChIInChI=1S/C14H22N2O/c1-11-9-13(15)10-12(2)14(11)17-8-7-16-5-3-4-6-16/h9-10H,3-8,15H2,1-2H3
InChIKeyUNMJRFZZIYYUBL-UHFFFAOYSA-N
XLogP2.36
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline
CID 106891018
1-[3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60879861
3-ethoxy-5-(2-pyrrolidin-1-ylethoxy)aniline
CID 80748537
3-amino-5-ethoxy-4-(2-pyrrolidin-1-ylethoxy)benzaldehyde
CID 82057247
3,5-dimethyl-4-(3-piperidin-1-ylpropyl)aniline
CID 142307822
4-chloro-5-fluoro-6-(2-pyrrolidin-1-ylethoxy)benzene-1,3-diamine
CID 103553739
5-bromo-3-methyl-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 115962106
3,5-dimethyl-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonyl chloride
CID 82911681
4-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]morpholine
CID 872206
methyl 5-amino-3-chloro-2-(2-piperidin-1-ylethoxy)benzoate
CID 107197723
3-bromo-5-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910960
5-methyl-2-(2-pyrrolidin-1-ylethoxy)pyridin-3-amine
CID 66279790

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline?
The IUPAC name of 3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline (CID 18327476) is 3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline.
What is the SMILES notation for 3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline?
The canonical SMILES for 3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline is Cc1cc(N)cc(C)c1OCCN1CCCC1.
What is the InChIKey of 3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline?
The InChIKey is UNMJRFZZIYYUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-9-13(15)10-12(2)14(11)17-8-7-16-5-3-4-6-16/h9-10H,3-8,15H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline?
3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline has a molecular weight of 234.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(2-pyrrolidin-1-ylethoxy)aniline is sourced from PubChem (CID 18327476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).