N-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine

C18H28N2O2 — CID 84745951

IUPACN-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine
SMILESCOc1cc(CN2CCCC2)ccc1CNCC1CCCO1
InChIInChI=1S/C18H28N2O2/c1-21-18-11-15(14-20-8-2-3-9-20)6-7-16(18)12-19-13-17-5-4-10-22-17/h6-7,11,17,19H,2-5,8-10,12-14H2,1H3
InChIKeyXHVOADPYCHZESI-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.56
Rot. Bonds7

About N-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine

N-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 84745951) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine
PubChem CID84745951
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine
SMILESCOc1cc(CN2CCCC2)ccc1CNCC1CCCO1
InChIInChI=1S/C18H28N2O2/c1-21-18-11-15(14-20-8-2-3-9-20)6-7-16(18)12-19-13-17-5-4-10-22-17/h6-7,11,17,19H,2-5,8-10,12-14H2,1H3
InChIKeyXHVOADPYCHZESI-UHFFFAOYSA-N
XLogP2.56
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
N-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]prop-2-en-1-amine
CID 84745947
N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 43403643
N-[[4-(azepan-1-ylmethyl)-2-methoxyphenyl]methyl]prop-2-en-1-amine
CID 84750707
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29223884
N-[(3-chloro-4-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 29223887
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 43090303
1-[(4-ethoxy-3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 3160476
N-[(3,4-dimethoxyphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994259
1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 1071362
1-[(2,4-dimethoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 1071363
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7458136

Frequently Asked Questions

What is the IUPAC name of N-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine (CID 84745951) is N-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine is COc1cc(CN2CCCC2)ccc1CNCC1CCCO1.
What is the InChIKey of N-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is XHVOADPYCHZESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-21-18-11-15(14-20-8-2-3-9-20)6-7-16(18)12-19-13-17-5-4-10-22-17/h6-7,11,17,19H,2-5,8-10,12-14H2,1H3.
What are the key properties of N-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine?
N-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 304.43 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 84745951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).