1-[4-(aminomethyl)phenyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine

C14H23N3 — CID 116952260

IUPAC1-[4-(aminomethyl)phenyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCNC(c1ccc(CN)cc1)C1CCN(C)C1
InChIInChI=1S/C14H23N3/c1-16-14(13-7-8-17(2)10-13)12-5-3-11(9-15)4-6-12/h3-6,13-14,16H,7-10,15H2,1-2H3
InChIKeyKRDYFKCPYRBESD-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.36
Rot. Bonds4

About 1-[4-(aminomethyl)phenyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine

1-[4-(aminomethyl)phenyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine (PubChem CID 116952260) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
PubChem CID116952260
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-[4-(aminomethyl)phenyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine
SMILESCNC(c1ccc(CN)cc1)C1CCN(C)C1
InChIInChI=1S/C14H23N3/c1-16-14(13-7-8-17(2)10-13)12-5-3-11(9-15)4-6-12/h3-6,13-14,16H,7-10,15H2,1-2H3
InChIKeyKRDYFKCPYRBESD-UHFFFAOYSA-N
XLogP1.36
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[methylamino-(1-methylpyrrolidin-3-yl)methyl]aniline
CID 116951993
1-cyclopentyl-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484724
4-[amino-(1-methylpyrrolidin-3-yl)methyl]-N-methylaniline
CID 116936927
3-[methylamino-(1-methylpiperidin-3-yl)methyl]phenol
CID 105495145
[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 117052585
4-(aminomethyl)-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 54949736
N-methyl-1-(4-propylcyclohexyl)-1-(4-propylphenyl)methanamine
CID 65424733
N-[[4-(aminomethyl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 115213157
[3-(aminomethyl)phenyl]-(1-methylpiperidin-3-yl)methanol
CID 115040388
4-[methylamino-(4-propylphenyl)methyl]cyclohexan-1-ol
CID 116957004
1-(4-butylphenyl)-1-cyclooctyl-N-methylmethanamine
CID 65018164
N-[1-(4-ethylphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949870

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine (CID 116952260) is 1-[4-(aminomethyl)phenyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine is CNC(c1ccc(CN)cc1)C1CCN(C)C1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine?
The InChIKey is KRDYFKCPYRBESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-16-14(13-7-8-17(2)10-13)12-5-3-11(9-15)4-6-12/h3-6,13-14,16H,7-10,15H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine?
1-[4-(aminomethyl)phenyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine has a molecular weight of 233.36 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-N-methyl-1-(1-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 116952260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).