N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine

C14H22N2 — CID 19439989

IUPACN-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
SMILESCNC(CN1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C14H22N2/c1-12-5-7-13(8-6-12)14(15-2)11-16-9-3-4-10-16/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeyVRNUIAGVKLBIML-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.35
Rot. Bonds4

About N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine

N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 19439989) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
PubChem CID19439989
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine
SMILESCNC(CN1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C14H22N2/c1-12-5-7-13(8-6-12)14(15-2)11-16-9-3-4-10-16/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeyVRNUIAGVKLBIML-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(4-methylphenyl)-2-piperazin-1-ylethanamine
CID 116954879
N-methyl-1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62617685
(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 139630399
N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 20735110
2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 79188424
1-[4-(2,6-dichloro-4-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 142725857
N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537734
1-[4-(6-fluoro-3-pyridinyl)phenyl]-N-methyl-2-pyrrolidin-1-ylethanamine
CID 142725802
N-methyl-2-piperidin-1-yl-1-(2,4,6-trimethylphenyl)ethanamine
CID 15203039
3-[4-[1-(methylamino)-2-pyrrolidin-1-ylethyl]phenyl]benzamide
CID 76542594
tert-butyl-hydroxy-dimethylsilane;(1S)-N-methyl-1-(3-methylphenyl)-2-pyrrolidin-1-ylethanamine;sulfane
CID 161283631
N-methyl-3-(4-methylazepan-1-yl)-1-(4-methylphenyl)propan-1-amine
CID 63622479

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine (CID 19439989) is N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine is CNC(CN1CCCC1)c1ccc(C)cc1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is VRNUIAGVKLBIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-5-7-13(8-6-12)14(15-2)11-16-9-3-4-10-16/h5-8,14-15H,3-4,9-11H2,1-2H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine?
N-methyl-1-(4-methylphenyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.35, 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-methylphenyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 19439989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).