1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine

C16H27N3 — CID 63166878

IUPAC1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(Cc2ccc(CN)cc2)C1
InChIInChI=1S/C16H27N3/c1-3-19(4-2)16-9-10-18(13-16)12-15-7-5-14(11-17)6-8-15/h5-8,16H,3-4,9-13,17H2,1-2H3
InChIKeyQXEQVDAGSIZQDV-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.06
Rot. Bonds6

About 1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine

1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 63166878) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine
PubChem CID63166878
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(Cc2ccc(CN)cc2)C1
InChIInChI=1S/C16H27N3/c1-3-19(4-2)16-9-10-18(13-16)12-15-7-5-14(11-17)6-8-15/h5-8,16H,3-4,9-13,17H2,1-2H3
InChIKeyQXEQVDAGSIZQDV-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(aminomethyl)-4-pyridinyl]methyl]-N,N-diethylpyrrolidin-3-amine
CID 63888264
1-[2-[4-(aminomethyl)phenoxy]ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63167098
1-[(3-amino-4-methylphenyl)methyl]-N,N-diethylpyrrolidin-3-amine
CID 55224176
1-[(3-amino-4-bromophenyl)methyl]-N,N-diethylpyrrolidin-3-amine
CID 115557189
4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 63165878
N,N-diethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 168961754
N'-(1-benzylpiperidin-3-yl)-N'-ethylethane-1,2-diamine
CID 66565091
1-[(4-tert-butylphenyl)methyl]-N,N-diethylpiperidin-4-amine
CID 118683629
[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
CID 103531169
1-[(5-amino-2-chlorophenyl)methyl]-N,N-diethylpyrrolidin-3-amine
CID 63171749
1-[(2-amino-6-bromophenyl)methyl]-N,N-diethylpyrrolidin-3-amine
CID 55159357
4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-2-methoxybenzonitrile
CID 106788214

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine (CID 63166878) is 1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(Cc2ccc(CN)cc2)C1.
What is the InChIKey of 1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is QXEQVDAGSIZQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-19(4-2)16-9-10-18(13-16)12-15-7-5-14(11-17)6-8-15/h5-8,16H,3-4,9-13,17H2,1-2H3.
What are the key properties of 1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine?
1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 261.41 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(aminomethyl)phenyl]methyl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 63166878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).