N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine

C18H31N3 — CID 63274805

IUPACN-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1CN(C)CC1CCN(C)C1
InChIInChI=1S/C18H31N3/c1-15(2)19-11-17-7-5-6-8-18(17)14-21(4)13-16-9-10-20(3)12-16/h5-8,15-16,19H,9-14H2,1-4H3
InChIKeyXXLSSYNWNGBXTC-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.57
Rot. Bonds7

About N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine

N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine (PubChem CID 63274805) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine
PubChem CID63274805
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1CN(C)CC1CCN(C)C1
InChIInChI=1S/C18H31N3/c1-15(2)19-11-17-7-5-6-8-18(17)14-21(4)13-16-9-10-20(3)12-16/h5-8,15-16,19H,9-14H2,1-4H3
InChIKeyXXLSSYNWNGBXTC-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 63274761
N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556812
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol
CID 82980533
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 63274229
N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 63274233
N-[2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]ethyl]propan-2-amine
CID 115463794
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 82979927
2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzonitrile
CID 63275779
N-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 107113400
N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62856940
N-[[2-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 63940458
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 63274242

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine (CID 63274805) is N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine is CC(C)NCc1ccccc1CN(C)CC1CCN(C)C1.
What is the InChIKey of N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine?
The InChIKey is XXLSSYNWNGBXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-15(2)19-11-17-7-5-6-8-18(17)14-21(4)13-16-9-10-20(3)12-16/h5-8,15-16,19H,9-14H2,1-4H3.
What are the key properties of N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine?
N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine has a molecular weight of 289.47 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63274805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).