N-[[1-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine

C16H26N2O — CID 62512611

IUPACN-[[1-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCOCc1cccc(N2CCC(CNC(C)C)C2)c1
InChIInChI=1S/C16H26N2O/c1-13(2)17-10-15-7-8-18(11-15)16-6-4-5-14(9-16)12-19-3/h4-6,9,13,15,17H,7-8,10-12H2,1-3H3
InChIKeyHYGIEANQCZEYNZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.66
Rot. Bonds6

About N-[[1-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine

N-[[1-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine (PubChem CID 62512611) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[[1-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
PubChem CID62512611
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[[1-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
SMILESCOCc1cccc(N2CCC(CNC(C)C)C2)c1
InChIInChI=1S/C16H26N2O/c1-13(2)17-10-15-7-8-18(11-15)16-6-4-5-14(9-16)12-19-3/h4-6,9,13,15,17H,7-8,10-12H2,1-3H3
InChIKeyHYGIEANQCZEYNZ-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513041
1-[3-(methoxymethyl)phenyl]-N-methylpiperidin-4-amine
CID 54965277
N-[[1-(3-fluoro-4-methoxyphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 55081581
N-[[1-(6-bromonaphthalen-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 81266805
N-[[1-(4-bromo-3-fluorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 65436566
N-[[1-(3-propan-2-yloxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792855
N-[[1-(2-ethylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513878
N-[[1-(2,4,5-trichlorophenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511727
3-(methoxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62655260
1-[1-[3-(methoxymethyl)phenyl]sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 119977844
N-[[1-(3-iodophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 55081199
N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62511752

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine (CID 62512611) is N-[[1-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine is COCc1cccc(N2CCC(CNC(C)C)C2)c1.
What is the InChIKey of N-[[1-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine?
The InChIKey is HYGIEANQCZEYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)17-10-15-7-8-18(11-15)16-6-4-5-14(9-16)12-19-3/h4-6,9,13,15,17H,7-8,10-12H2,1-3H3.
What are the key properties of N-[[1-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine?
N-[[1-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(methoxymethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62512611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).