N-[(2-methoxyphenyl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine

C17H23N3O2 — CID 126826944

IUPACN-[(2-methoxyphenyl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine
SMILESCOc1ccccc1CNC[C@@H]1CCO[C@H]1c1ccnn1C
InChIInChI=1S/C17H23N3O2/c1-20-15(7-9-19-20)17-14(8-10-22-17)12-18-11-13-5-3-4-6-16(13)21-2/h3-7,9,14,17-18H,8,10-12H2,1-2H3/t14-,17+/m0/s1
InChIKeyOVBYVJMHJDJBHC-WMLDXEAASA-N
MW301.39 g/mol
LogP2.30
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine

N-[(2-methoxyphenyl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine (PubChem CID 126826944) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine
PubChem CID126826944
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine
SMILESCOc1ccccc1CNC[C@@H]1CCO[C@H]1c1ccnn1C
InChIInChI=1S/C17H23N3O2/c1-20-15(7-9-19-20)17-14(8-10-22-17)12-18-11-13-5-3-4-6-16(13)21-2/h3-7,9,14,17-18H,8,10-12H2,1-2H3/t14-,17+/m0/s1
InChIKeyOVBYVJMHJDJBHC-WMLDXEAASA-N
XLogP2.30
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 128976235
N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine
CID 120916560
[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanol
CID 130949666
N-[(2,3-dimethoxyphenyl)methyl]-1-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96997518
2,2-dicyclopropyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]acetamide
CID 127969351
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-N-[[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methyl]methanamine
CID 129000660
(2R,6S)-2,6-dimethyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]oxan-4-amine
CID 129339482
5-bromo-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine
CID 128992017
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]ethenesulfonamide
CID 167933645
N-[(2,4-dimethoxyphenyl)methyl]-1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929102
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2-pyridin-2-ylethanamine
CID 167949484

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine (CID 126826944) is N-[(2-methoxyphenyl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine is COc1ccccc1CNC[C@@H]1CCO[C@H]1c1ccnn1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine?
The InChIKey is OVBYVJMHJDJBHC-WMLDXEAASA-N. The full InChI is InChI=1S/C17H23N3O2/c1-20-15(7-9-19-20)17-14(8-10-22-17)12-18-11-13-5-3-4-6-16(13)21-2/h3-7,9,14,17-18H,8,10-12H2,1-2H3/t14-,17+/m0/s1.
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine?
N-[(2-methoxyphenyl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine has a molecular weight of 301.39 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 126826944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).