2-chloro-4,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline

C14H21ClN2 — CID 82088072

IUPAC2-chloro-4,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESCc1cc(C)c(NCCN2CCCC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-11-9-12(2)14(13(15)10-11)16-5-8-17-6-3-4-7-17/h9-10,16H,3-8H2,1-2H3
InChIKeyDWWOPYRFSQUKRN-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.46
Rot. Bonds4

About 2-chloro-4,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline

2-chloro-4,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline (PubChem CID 82088072) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-chloro-4,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline.

Molecular Properties

Compound Name2-chloro-4,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
PubChem CID82088072
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-chloro-4,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
SMILESCc1cc(C)c(NCCN2CCCC2)c(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-11-9-12(2)14(13(15)10-11)16-5-8-17-6-3-4-7-17/h9-10,16H,3-8H2,1-2H3
InChIKeyDWWOPYRFSQUKRN-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 114014994
3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline
CID 54807377
3,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82079424
N-[2-(azepan-1-yl)ethyl]-2,6-dimethylaniline
CID 54807240
4-bromo-2,6-dichloro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 63487853
3-(2-chloro-4,6-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109038932
3-(2-chloro-4,6-dimethylanilino)propanoic acid
CID 82316593
2,6-dichloro-N-[2-(4-methylpiperazin-1-yl)ethyl]aniline
CID 82889033
3-(2-chloro-4,6-dimethylanilino)propanamide
CID 82081050
1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine
CID 2263039
N-(2-chloro-4,6-dimethylphenyl)-4-pentylpiperazine-1-carboxamide
CID 113110807
3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82089741

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline?
The IUPAC name of 2-chloro-4,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline (CID 82088072) is 2-chloro-4,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline.
What is the SMILES notation for 2-chloro-4,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline?
The canonical SMILES for 2-chloro-4,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline is Cc1cc(C)c(NCCN2CCCC2)c(Cl)c1.
What is the InChIKey of 2-chloro-4,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline?
The InChIKey is DWWOPYRFSQUKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-11-9-12(2)14(13(15)10-11)16-5-8-17-6-3-4-7-17/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 2-chloro-4,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline?
2-chloro-4,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline has a molecular weight of 252.79 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)aniline is sourced from PubChem (CID 82088072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).