N-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine

C16H26N2O2 — CID 61212133

IUPACN-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine
SMILESCOC(CNC1CCN(CCc2ccccc2)C1)OC
InChIInChI=1S/C16H26N2O2/c1-19-16(20-2)12-17-15-9-11-18(13-15)10-8-14-6-4-3-5-7-14/h3-7,15-17H,8-13H2,1-2H3
InChIKeySEMUKKCRKBDNQF-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.51
Rot. Bonds8

About N-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine

N-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine (PubChem CID 61212133) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine
PubChem CID61212133
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine
SMILESCOC(CNC1CCN(CCc2ccccc2)C1)OC
InChIInChI=1S/C16H26N2O2/c1-19-16(20-2)12-17-15-9-11-18(13-15)10-8-14-6-4-3-5-7-14/h3-7,15-17H,8-13H2,1-2H3
InChIKeySEMUKKCRKBDNQF-UHFFFAOYSA-N
XLogP1.51
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 64570465
1-phenyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 110901793
1-(2-phenylethyl)-N-prop-2-ynylpyrrolidin-3-amine
CID 61211753
1-(3-methoxyphenyl)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 111755539
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]ethanol
CID 61212508
5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol
CID 107267756
2-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]amino]propan-1-ol
CID 65034212
1,1-dimethyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]hydrazine
CID 83004992
N-methyl-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]acetamide
CID 61212881
2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]-1-thiophen-3-ylethanol
CID 111755658
(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
CID 114986909
(3R)-N-methyl-1-(3-phenylpropyl)pyrrolidin-3-amine
CID 142940640

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine?
The IUPAC name of N-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine (CID 61212133) is N-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine?
The canonical SMILES for N-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine is COC(CNC1CCN(CCc2ccccc2)C1)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine?
The InChIKey is SEMUKKCRKBDNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-19-16(20-2)12-17-15-9-11-18(13-15)10-8-14-6-4-3-5-7-14/h3-7,15-17H,8-13H2,1-2H3.
What are the key properties of N-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine?
N-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine has a molecular weight of 278.40 g/mol, XLogP of 1.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-1-(2-phenylethyl)pyrrolidin-3-amine is sourced from PubChem (CID 61212133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).