N-methyl-1-[3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]methanamine

C16H26N2O — CID 106318811

IUPACN-methyl-1-[3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(CCCOc2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-16(13-17-2)9-11-18(14-16)10-6-12-19-15-7-4-3-5-8-15/h3-5,7-8,17H,6,9-14H2,1-2H3
InChIKeyBKQJIEFKQZMWTL-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.39
Rot. Bonds7

About N-methyl-1-[3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]methanamine

N-methyl-1-[3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]methanamine (PubChem CID 106318811) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]methanamine
PubChem CID106318811
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-methyl-1-[3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(CCCOc2ccccc2)C1
InChIInChI=1S/C16H26N2O/c1-16(13-17-2)9-11-18(14-16)10-6-12-19-15-7-4-3-5-8-15/h3-5,7-8,17H,6,9-14H2,1-2H3
InChIKeyBKQJIEFKQZMWTL-UHFFFAOYSA-N
XLogP2.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 106318668
[3-methyl-1-[2-(2-phenoxyethoxy)ethyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120771836
N-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]ethanamine
CID 19018032
2-[[(3S)-3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]amino]acetic acid
CID 129324019
N-methyl-1-[3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrolidin-3-yl]methanamine
CID 106318659
N-methyl-1-[3-methyl-1-(2-propoxyethyl)pyrrolidin-3-yl]methanamine
CID 106318664
N-methyl-1-[3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]methanamine
CID 106318606
1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960
4-(4-chlorophenoxy)-4-methyl-1-(4-phenoxybutyl)piperidine
CID 121418465
N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine
CID 106318615
N-methyl-3-phenoxypropan-1-amine
CID 22067856
1-[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318678

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]methanamine (CID 106318811) is N-methyl-1-[3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]methanamine is CNCC1(C)CCN(CCCOc2ccccc2)C1.
What is the InChIKey of N-methyl-1-[3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]methanamine?
The InChIKey is BKQJIEFKQZMWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(13-17-2)9-11-18(14-16)10-6-12-19-15-7-4-3-5-8-15/h3-5,7-8,17H,6,9-14H2,1-2H3.
What are the key properties of N-methyl-1-[3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-1-(3-phenoxypropyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 106318811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).