N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine

C13H20N2 — CID 43283919

IUPACN-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
SMILESCNC(C)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H20N2/c1-11(14-2)12-5-7-13(8-6-12)15-9-3-4-10-15/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeyLJMSOXKQNCWKTE-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.57
Rot. Bonds3

About N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine

N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine (PubChem CID 43283919) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
PubChem CID43283919
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
SMILESCNC(C)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C13H20N2/c1-11(14-2)12-5-7-13(8-6-12)15-9-3-4-10-15/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeyLJMSOXKQNCWKTE-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-ol
CID 43284297
N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine
CID 43283904
N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283918
N,N-dimethyl-1-[4-[1-(methylamino)ethyl]phenyl]piperidin-4-amine
CID 43586115
2-[4-[4-[1-(methylamino)ethyl]phenyl]-1,4-diazepan-1-yl]ethanol
CID 107223405
N-methyl-1-[4-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanamine
CID 62973065
[1-[4-[1-(methylamino)ethyl]phenyl]piperidin-3-yl]methanol
CID 43590379
N-methyl-1-[4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanamine
CID 106314718
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
1-[4-(7,7-dimethyl-1,4-thiazepan-4-yl)phenyl]-N-methylethanamine
CID 107455784
(1S)-1-(4-piperidin-1-ylphenyl)ethanol
CID 10104408
1-(3-bromo-4-pyrrolidin-1-ylphenyl)-N-methylethanamine
CID 62908297

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine?
The IUPAC name of N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine (CID 43283919) is N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine.
What is the SMILES notation for N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine?
The canonical SMILES for N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine is CNC(C)c1ccc(N2CCCC2)cc1.
What is the InChIKey of N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine?
The InChIKey is LJMSOXKQNCWKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-11(14-2)12-5-7-13(8-6-12)15-9-3-4-10-15/h5-8,11,14H,3-4,9-10H2,1-2H3.
What are the key properties of N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine?
N-methyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine has a molecular weight of 204.32 g/mol, XLogP of 2.57, 3 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-ylphenyl)ethanamine is sourced from PubChem (CID 43283919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).