N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine

C16H27N3 — CID 79303419

IUPACN-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
SMILESCCN1CCCC1CN(C)Cc1ccc(CN)cc1
InChIInChI=1S/C16H27N3/c1-3-19-10-4-5-16(19)13-18(2)12-15-8-6-14(11-17)7-9-15/h6-9,16H,3-5,10-13,17H2,1-2H3
InChIKeyJRVKNWQDQXQRQL-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.06
Rot. Bonds6

About N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine

N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine (PubChem CID 79303419) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
PubChem CID79303419
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
SMILESCCN1CCCC1CN(C)Cc1ccc(CN)cc1
InChIInChI=1S/C16H27N3/c1-3-19-10-4-5-16(19)13-18(2)12-15-8-6-14(11-17)7-9-15/h6-9,16H,3-5,10-13,17H2,1-2H3
InChIKeyJRVKNWQDQXQRQL-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

5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]pyridin-2-amine
CID 79312532
N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303973
N-[(6-chloro-3-pyridinyl)methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79314477
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-5-fluoroaniline
CID 112646219
4-[2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethyl]aniline
CID 79303507
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]aniline
CID 79303405
2-[3-(aminomethyl)phenoxy]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylethanamine
CID 79303253
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1-(1-methylpiperidin-3-yl)methanamine
CID 115213242
1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]methanamine
CID 106906839
2-[(2S)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554160
2-[(2R)-2-[[benzyl(methyl)amino]methyl]piperidin-1-yl]ethanamine
CID 96554161
4-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79313837

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine (CID 79303419) is N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine is CCN1CCCC1CN(C)Cc1ccc(CN)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
The InChIKey is JRVKNWQDQXQRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-19-10-4-5-16(19)13-18(2)12-15-8-6-14(11-17)7-9-15/h6-9,16H,3-5,10-13,17H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine?
N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine 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 N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 79303419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).