2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline

C18H23N3 — CID 43682397

IUPAC2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline
SMILESCc1cc(N2CCCC2)ccc1NC(C)c1ccccn1
InChIInChI=1S/C18H23N3/c1-14-13-16(21-11-5-6-12-21)8-9-17(14)20-15(2)18-7-3-4-10-19-18/h3-4,7-10,13,15,20H,5-6,11-12H2,1-2H3
InChIKeyQTJNBTMYHDQKKZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.16
Rot. Bonds4

About 2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline

2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline (PubChem CID 43682397) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline
PubChem CID43682397
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline
SMILESCc1cc(N2CCCC2)ccc1NC(C)c1ccccn1
InChIInChI=1S/C18H23N3/c1-14-13-16(21-11-5-6-12-21)8-9-17(14)20-15(2)18-7-3-4-10-19-18/h3-4,7-10,13,15,20H,5-6,11-12H2,1-2H3
InChIKeyQTJNBTMYHDQKKZ-UHFFFAOYSA-N
XLogP4.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dimethylphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110454927
3-methyl-4-(1-pyridin-2-ylethylamino)benzonitrile
CID 60929772
2,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196549
2,3-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196433
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)aniline
CID 43729519
4-methyl-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43524351
N-(1-cyclopropylpropan-2-yl)-2-methyl-4-pyrrolidin-1-ylaniline
CID 115916530
6-methyl-N-(1-pyridin-2-ylethyl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91961042
2,6-ditert-butyl-4-methyl-N-(1-pyridin-2-ylethyl)aniline
CID 20706847
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
4-chloro-1-N-(1-pyridin-2-ylethyl)benzene-1,2-diamine
CID 43524369
(1S)-1-pyridin-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 78979013

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline?
The IUPAC name of 2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline (CID 43682397) is 2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for 2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline?
The canonical SMILES for 2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline is Cc1cc(N2CCCC2)ccc1NC(C)c1ccccn1.
What is the InChIKey of 2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline?
The InChIKey is QTJNBTMYHDQKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-14-13-16(21-11-5-6-12-21)8-9-17(14)20-15(2)18-7-3-4-10-19-18/h3-4,7-10,13,15,20H,5-6,11-12H2,1-2H3.
What are the key properties of 2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline?
2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline has a molecular weight of 281.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-pyridin-2-ylethyl)-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 43682397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).