2-methyl-N-propan-2-yl-6-pyrrolidin-1-ylaniline

C14H22N2 — CID 168512425

IUPAC2-methyl-N-propan-2-yl-6-pyrrolidin-1-ylaniline
SMILESCc1cccc(N2CCCC2)c1NC(C)C
InChIInChI=1S/C14H22N2/c1-11(2)15-14-12(3)7-6-8-13(14)16-9-4-5-10-16/h6-8,11,15H,4-5,9-10H2,1-3H3
InChIKeyZQONMMMDABJNCF-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.42
Rot. Bonds3

About 2-methyl-N-propan-2-yl-6-pyrrolidin-1-ylaniline

2-methyl-N-propan-2-yl-6-pyrrolidin-1-ylaniline (PubChem CID 168512425) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-6-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-6-pyrrolidin-1-ylaniline
PubChem CID168512425
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-methyl-N-propan-2-yl-6-pyrrolidin-1-ylaniline
SMILESCc1cccc(N2CCCC2)c1NC(C)C
InChIInChI=1S/C14H22N2/c1-11(2)15-14-12(3)7-6-8-13(14)16-9-4-5-10-16/h6-8,11,15H,4-5,9-10H2,1-3H3
InChIKeyZQONMMMDABJNCF-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-propan-2-yl-6-pyrrolidin-1-ylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylphenyl)azetidine;hydrochloride
CID 176582976
1-[2-(2-methylphenyl)phenyl]pyrrolidine
CID 168513578
2-methyl-6-piperidin-1-ylbenzoic acid
CID 79694992
1-(2-propan-2-ylphenyl)pyrrolidine
CID 10607693
1-(3-methyl-2-phenoxyphenyl)pyrrolidine
CID 168514130
3-[1-(2-pyrrolidin-1-ylanilino)ethyl]phenol
CID 43684258
(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)propanamide
CID 9445040
1-[3-(bromomethyl)-2-methylphenyl]piperidine
CID 121004063
1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
CID 28801549
N-[1-(1-methylcyclopropyl)ethyl]-2-pyrrolidin-1-ylaniline
CID 43684228
2-propan-2-yl-4-pyrrolidin-1-yl-1,3-benzothiazole
CID 170688104

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-6-pyrrolidin-1-ylaniline?
The IUPAC name of 2-methyl-N-propan-2-yl-6-pyrrolidin-1-ylaniline (CID 168512425) is 2-methyl-N-propan-2-yl-6-pyrrolidin-1-ylaniline.
What is the SMILES notation for 2-methyl-N-propan-2-yl-6-pyrrolidin-1-ylaniline?
The canonical SMILES for 2-methyl-N-propan-2-yl-6-pyrrolidin-1-ylaniline is Cc1cccc(N2CCCC2)c1NC(C)C.
What is the InChIKey of 2-methyl-N-propan-2-yl-6-pyrrolidin-1-ylaniline?
The InChIKey is ZQONMMMDABJNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(2)15-14-12(3)7-6-8-13(14)16-9-4-5-10-16/h6-8,11,15H,4-5,9-10H2,1-3H3.
What are the key properties of 2-methyl-N-propan-2-yl-6-pyrrolidin-1-ylaniline?
2-methyl-N-propan-2-yl-6-pyrrolidin-1-ylaniline has a molecular weight of 218.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-6-pyrrolidin-1-ylaniline is sourced from PubChem (CID 168512425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).