N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine

C16H27N3O — CID 106785505

IUPACN-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCOc1cc(CN(C)CCN2CCCC2)ccc1CN
InChIInChI=1S/C16H27N3O/c1-18(9-10-19-7-3-4-8-19)13-14-5-6-15(12-17)16(11-14)20-2/h5-6,11H,3-4,7-10,12-13,17H2,1-2H3
InChIKeyIZABUULNMJPFJZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.68
Rot. Bonds7

About N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine

N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine (PubChem CID 106785505) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
PubChem CID106785505
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
SMILESCOc1cc(CN(C)CCN2CCCC2)ccc1CN
InChIInChI=1S/C16H27N3O/c1-18(9-10-19-7-3-4-8-19)13-14-5-6-15(12-17)16(11-14)20-2/h5-6,11H,3-4,7-10,12-13,17H2,1-2H3
InChIKeyIZABUULNMJPFJZ-UHFFFAOYSA-N
XLogP1.68
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(aminomethyl)-4-fluorophenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 63289590
[2-methoxy-4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanamine
CID 84754851
2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine
CID 71034554
[4-[[(3-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785290
2-chloro-6-methoxy-4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol
CID 82979703
[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785291
[2-methoxy-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]methanamine
CID 106785650
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,N-dimethylpiperidin-4-amine
CID 106785254
[4-[[(2-fluorophenyl)methyl-methylamino]methyl]-2-methoxyphenyl]methanamine
CID 106785236
2-methoxy-4-[[methyl(2-piperazin-1-ylethyl)amino]methyl]benzonitrile
CID 106792764
2-[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenyl]acetohydrazide
CID 105351782
N-[(2-bromo-5-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 65326509

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine (CID 106785505) is N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine is COc1cc(CN(C)CCN2CCCC2)ccc1CN.
What is the InChIKey of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
The InChIKey is IZABUULNMJPFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-18(9-10-19-7-3-4-8-19)13-14-5-6-15(12-17)16(11-14)20-2/h5-6,11H,3-4,7-10,12-13,17H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine?
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine has a molecular weight of 277.41 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-methyl-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 106785505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).