N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine

C16H27N3 — CID 63274761

IUPACN-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCNCc1ccccc1CN(C)CC1CCN(C)C1
InChIInChI=1S/C16H27N3/c1-17-10-15-6-4-5-7-16(15)13-19(3)12-14-8-9-18(2)11-14/h4-7,14,17H,8-13H2,1-3H3
InChIKeyRSULYOSHTMPYCF-UHFFFAOYSA-N
MW261.41 g/mol
LogP1.79
Rot. Bonds6

About N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine

N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine (PubChem CID 63274761) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
PubChem CID63274761
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCNCc1ccccc1CN(C)CC1CCN(C)C1
InChIInChI=1S/C16H27N3/c1-17-10-15-6-4-5-7-16(15)13-19(3)12-14-8-9-18(2)11-14/h4-7,14,17H,8-13H2,1-3H3
InChIKeyRSULYOSHTMPYCF-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine
CID 63274805
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol
CID 82980533
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile
CID 63275779
N-methyl-N-[[3-(methylaminomethyl)furan-2-yl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63274626
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 82979927
N-methyl-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]-6-nitroaniline
CID 107351297
N-[(2-chloroquinolin-3-yl)methyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63276042
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 107113400
N-methyl-6-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]pyridin-2-amine
CID 79233111
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-methylpyrrolidin-3-amine
CID 62975581
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]benzohydrazide
CID 63574180
4-chloro-2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]aniline
CID 79582729

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine (CID 63274761) is N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine is CNCc1ccccc1CN(C)CC1CCN(C)C1.
What is the InChIKey of N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
The InChIKey is RSULYOSHTMPYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-17-10-15-6-4-5-7-16(15)13-19(3)12-14-8-9-18(2)11-14/h4-7,14,17H,8-13H2,1-3H3.
What are the key properties of N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine?
N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 63274761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).