N-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine

C13H20N2 — CID 18525869

IUPACN-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
SMILESCNCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C13H20N2/c1-14-10-12-4-6-13(7-5-12)11-15-8-2-3-9-15/h4-7,14H,2-3,8-11H2,1H3
InChIKeyPJTVZWBZDHZISX-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.00
Rot. Bonds4

About N-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine

N-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine (PubChem CID 18525869) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
PubChem CID18525869
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
SMILESCNCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C13H20N2/c1-14-10-12-4-6-13(7-5-12)11-15-8-2-3-9-15/h4-7,14H,2-3,8-11H2,1H3
InChIKeyPJTVZWBZDHZISX-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine (CID 18525869) is N-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine is CNCc1ccc(CN2CCCC2)cc1.
What is the InChIKey of N-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
The InChIKey is PJTVZWBZDHZISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-14-10-12-4-6-13(7-5-12)11-15-8-2-3-9-15/h4-7,14H,2-3,8-11H2,1H3.
What are the key properties of N-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine?
N-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine has a molecular weight of 204.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(pyrrolidin-1-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 18525869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).