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

C16H27N3 — CID 79303181

IUPAC2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
SMILESCCN1CCCC1CN(C)CCc1ccccc1N
InChIInChI=1S/C16H27N3/c1-3-19-11-6-8-15(19)13-18(2)12-10-14-7-4-5-9-16(14)17/h4-5,7,9,15H,3,6,8,10-13,17H2,1-2H3
InChIKeyLXRWZLDACNMTCN-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.23
Rot. Bonds6

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

2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline (PubChem CID 79303181) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline.

Molecular Properties

Compound Name2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
PubChem CID79303181
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
SMILESCCN1CCCC1CN(C)CCc1ccccc1N
InChIInChI=1S/C16H27N3/c1-3-19-11-6-8-15(19)13-18(2)12-10-14-7-4-5-9-16(14)17/h4-5,7,9,15H,3,6,8,10-13,17H2,1-2H3
InChIKeyLXRWZLDACNMTCN-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline
CID 79303405
4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
CID 79303507
2-[3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]propyl]aniline
CID 107274456
2-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]aniline
CID 62885023
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 79313468
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]benzoic acid
CID 79319788
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-phenylpropane-1,3-diamine
CID 79313102
1-[3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propyl]pyrazol-3-amine
CID 79304239
N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303419
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-2,3-dihydro-1H-indene-1,2-diamine
CID 79313644
2-[2-(1-butylpiperidin-2-yl)ethyl]aniline
CID 20560089
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-6-fluorophenol
CID 112616372

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline?
The IUPAC name of 2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline (CID 79303181) is 2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline.
What is the SMILES notation for 2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline?
The canonical SMILES for 2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline is CCN1CCCC1CN(C)CCc1ccccc1N.
What is the InChIKey of 2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline?
The InChIKey is LXRWZLDACNMTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-19-11-6-8-15(19)13-18(2)12-10-14-7-4-5-9-16(14)17/h4-5,7,9,15H,3,6,8,10-13,17H2,1-2H3.
What are the key properties of 2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline?
2-[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 2-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline is sourced from PubChem (CID 79303181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).