3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline

C14H22N2 — CID 82079424

IUPAC3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESCc1cc(C)cc(NCCN2CCCC2)c1
InChIInChI=1S/C14H22N2/c1-12-9-13(2)11-14(10-12)15-5-8-16-6-3-4-7-16/h9-11,15H,3-8H2,1-2H3
InChIKeyDFFLTVJMHCKHIQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.81
Rot. Bonds4

About 3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline

3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline (PubChem CID 82079424) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
PubChem CID82079424
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESCc1cc(C)cc(NCCN2CCCC2)c1
InChIInChI=1S/C14H22N2/c1-12-9-13(2)11-14(10-12)15-5-8-16-6-3-4-7-16/h9-11,15H,3-8H2,1-2H3
InChIKeyDFFLTVJMHCKHIQ-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82888949
3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline
CID 54807377
5-methoxy-3-N-(2-piperidin-1-ylethyl)benzene-1,3-diamine
CID 80739266
2-chloro-4,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82088072
2-fluoro-5-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 107911386
1-N-[2-(azepan-1-yl)ethyl]-4-methylbenzene-1,3-diamine
CID 62911471
4-N-[2-(azepan-1-yl)ethyl]benzene-1,2,4-triamine
CID 106750490
3-bromo-4-fluoro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 107911912
3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine
CID 113423980
2-methyl-4-(2-pyrrolidin-1-ylethylamino)benzoic acid
CID 81282265
4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511
N-(3,5-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771509

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline?
The IUPAC name of 3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline (CID 82079424) is 3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline.
What is the SMILES notation for 3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline?
The canonical SMILES for 3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline is Cc1cc(C)cc(NCCN2CCCC2)c1.
What is the InChIKey of 3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline?
The InChIKey is DFFLTVJMHCKHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-9-13(2)11-14(10-12)15-5-8-16-6-3-4-7-16/h9-11,15H,3-8H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline?
3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline has a molecular weight of 218.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline is sourced from PubChem (CID 82079424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).