4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline

C16H27N3 — CID 79303507

IUPAC4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
SMILESCCN1CCCC1CN(C)CCc1ccc(N)cc1
InChIInChI=1S/C16H27N3/c1-3-19-11-4-5-16(19)13-18(2)12-10-14-6-8-15(17)9-7-14/h6-9,16H,3-5,10-13,17H2,1-2H3
InChIKeyFAZJMVOTDUGJEQ-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.23
Rot. Bonds6

About 4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline

4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline (PubChem CID 79303507) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
PubChem CID79303507
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
SMILESCCN1CCCC1CN(C)CCc1ccc(N)cc1
InChIInChI=1S/C16H27N3/c1-3-19-11-4-5-16(19)13-18(2)12-10-14-6-8-15(17)9-7-14/h6-9,16H,3-5,10-13,17H2,1-2H3
InChIKeyFAZJMVOTDUGJEQ-UHFFFAOYSA-N
XLogP2.23
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
CID 79303181
N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303419
5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 79312532
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-fluoroaniline
CID 112646219
4-[2-(2-ethylpyrrolidin-1-yl)ethyl]aniline
CID 60974787
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline
CID 79303405
1-[3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propyl]pyrazol-3-amine
CID 79304239
1-(4-bromophenyl)-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylpropane-1,3-diamine
CID 79310265
2-[3-(aminomethyl)phenoxy]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethanamine
CID 79303253
N-[(6-chloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79314477
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-phenylpropane-1,3-diamine
CID 79313102
4-[(2-ethylpyrrolidin-1-yl)methyl]aniline
CID 59299936

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline?
The IUPAC name of 4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline (CID 79303507) is 4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline.
What is the SMILES notation for 4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline?
The canonical SMILES for 4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline is CCN1CCCC1CN(C)CCc1ccc(N)cc1.
What is the InChIKey of 4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline?
The InChIKey is FAZJMVOTDUGJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-19-11-4-5-16(19)13-18(2)12-10-14-6-8-15(17)9-7-14/h6-9,16H,3-5,10-13,17H2,1-2H3.
What are the key properties of 4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline?
4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline has a molecular weight of 261.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline is sourced from PubChem (CID 79303507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).