2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-diethylaniline

C16H27N3 — CID 117408815

IUPAC2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-diethylaniline
SMILESCCN(CC)c1ccccc1C1CC(CN)CN1C
InChIInChI=1S/C16H27N3/c1-4-19(5-2)15-9-7-6-8-14(15)16-10-13(11-17)12-18(16)3/h6-9,13,16H,4-5,10-12,17H2,1-3H3
InChIKeyHWFIGHULDBEKBU-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.48
Rot. Bonds5

About 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-diethylaniline

2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-diethylaniline (PubChem CID 117408815) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-diethylaniline.

Molecular Properties

Compound Name2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-diethylaniline
PubChem CID117408815
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-diethylaniline
SMILESCCN(CC)c1ccccc1C1CC(CN)CN1C
InChIInChI=1S/C16H27N3/c1-4-19(5-2)15-9-7-6-8-14(15)16-10-13(11-17)12-18(16)3/h6-9,13,16H,4-5,10-12,17H2,1-3H3
InChIKeyHWFIGHULDBEKBU-UHFFFAOYSA-N
XLogP2.48
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(2-cyclohexylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117434116
[5-[2-(difluoromethylsulfanyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117433987
[5-[2-(2,2-difluoroethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117389264
[1-methyl-5-(2-piperidin-4-ylphenyl)pyrrolidin-3-yl]methanamine
CID 117436780
[1-methyl-5-[2-(thietan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine
CID 117446779
[5-(2-bromo-3-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117455095
[5-[2-(2-methoxypropan-2-yl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117117089
[5-[2-(1-methoxyethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117117096
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-6-chlorophenol
CID 117354250
[1-methyl-5-[2-(oxetan-3-yloxy)phenyl]pyrrolidin-3-yl]methanamine
CID 117410820
[5-(3-methoxy-2-methylphenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 117341079
4-[2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]phenyl]piperazine-2,6-dione
CID 117487255

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-diethylaniline?
The IUPAC name of 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-diethylaniline (CID 117408815) is 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-diethylaniline.
What is the SMILES notation for 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-diethylaniline?
The canonical SMILES for 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-diethylaniline is CCN(CC)c1ccccc1C1CC(CN)CN1C.
What is the InChIKey of 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-diethylaniline?
The InChIKey is HWFIGHULDBEKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-19(5-2)15-9-7-6-8-14(15)16-10-13(11-17)12-18(16)3/h6-9,13,16H,4-5,10-12,17H2,1-3H3.
What are the key properties of 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-diethylaniline?
2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-diethylaniline has a molecular weight of 261.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-diethylaniline is sourced from PubChem (CID 117408815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).