N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methyl-1-(3-methylphenyl)methanamine

C16H26N2 — CID 63143130

IUPACN-[(3-ethylpyrrolidin-3-yl)methyl]-N-methyl-1-(3-methylphenyl)methanamine
SMILESCCC1(CN(C)Cc2cccc(C)c2)CCNC1
InChIInChI=1S/C16H26N2/c1-4-16(8-9-17-12-16)13-18(3)11-15-7-5-6-14(2)10-15/h5-7,10,17H,4,8-9,11-13H2,1-3H3
InChIKeyUYYOCWUQMIGIGB-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.82
Rot. Bonds5

About N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methyl-1-(3-methylphenyl)methanamine

N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methyl-1-(3-methylphenyl)methanamine (PubChem CID 63143130) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methyl-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-ethylpyrrolidin-3-yl)methyl]-N-methyl-1-(3-methylphenyl)methanamine
PubChem CID63143130
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(3-ethylpyrrolidin-3-yl)methyl]-N-methyl-1-(3-methylphenyl)methanamine
SMILESCCC1(CN(C)Cc2cccc(C)c2)CCNC1
InChIInChI=1S/C16H26N2/c1-4-16(8-9-17-12-16)13-18(3)11-15-7-5-6-14(2)10-15/h5-7,10,17H,4,8-9,11-13H2,1-3H3
InChIKeyUYYOCWUQMIGIGB-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethylpiperidin-3-yl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 63133198
1-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
CID 61411916
N-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 63133387
N-[(3-ethylpiperidin-3-yl)methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 55167019
1-(5-chlorothiophen-2-yl)-N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methylmethanamine
CID 55165548
N-methyl-1-(1-methylpyrazol-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 63143036
1-(furan-3-yl)-N-methyl-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 63143134
1-(3-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 55164971
N-methyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylethanamine
CID 55137660
1-[(3-ethylpyrrolidin-3-yl)methyl]-4-(3-methylphenyl)piperazine
CID 63142322
N-methyl-2-phenyl-N-[(3-propylpyrrolidin-3-yl)methyl]ethanamine
CID 65486941
3-ethyl-N-[(3-fluorophenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 55164556

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methyl-1-(3-methylphenyl)methanamine?
The IUPAC name of N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methyl-1-(3-methylphenyl)methanamine (CID 63143130) is N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methyl-1-(3-methylphenyl)methanamine.
What is the SMILES notation for N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methyl-1-(3-methylphenyl)methanamine?
The canonical SMILES for N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methyl-1-(3-methylphenyl)methanamine is CCC1(CN(C)Cc2cccc(C)c2)CCNC1.
What is the InChIKey of N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methyl-1-(3-methylphenyl)methanamine?
The InChIKey is UYYOCWUQMIGIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-16(8-9-17-12-16)13-18(3)11-15-7-5-6-14(2)10-15/h5-7,10,17H,4,8-9,11-13H2,1-3H3.
What are the key properties of N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methyl-1-(3-methylphenyl)methanamine?
N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methyl-1-(3-methylphenyl)methanamine has a molecular weight of 246.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylpyrrolidin-3-yl)methyl]-N-methyl-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 63143130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).