N-methyl-1-[(3R)-oxolan-3-yl]-N-[(3-pyridin-3-ylphenyl)methyl]methanamine

C18H22N2O — CID 97160402

IUPACN-methyl-1-[(3R)-oxolan-3-yl]-N-[(3-pyridin-3-ylphenyl)methyl]methanamine
SMILESCN(Cc1cccc(-c2cccnc2)c1)C[C@H]1CCOC1
InChIInChI=1S/C18H22N2O/c1-20(13-16-7-9-21-14-16)12-15-4-2-5-17(10-15)18-6-3-8-19-11-18/h2-6,8,10-11,16H,7,9,12-14H2,1H3/t16-/m1/s1
InChIKeyBPMWDBASJCOSKV-MRXNPFEDSA-N
MW282.39 g/mol
LogP3.22
Rot. Bonds5

About N-methyl-1-[(3R)-oxolan-3-yl]-N-[(3-pyridin-3-ylphenyl)methyl]methanamine

N-methyl-1-[(3R)-oxolan-3-yl]-N-[(3-pyridin-3-ylphenyl)methyl]methanamine (PubChem CID 97160402) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-methyl-1-[(3R)-oxolan-3-yl]-N-[(3-pyridin-3-ylphenyl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(3R)-oxolan-3-yl]-N-[(3-pyridin-3-ylphenyl)methyl]methanamine
PubChem CID97160402
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-methyl-1-[(3R)-oxolan-3-yl]-N-[(3-pyridin-3-ylphenyl)methyl]methanamine
SMILESCN(Cc1cccc(-c2cccnc2)c1)C[C@H]1CCOC1
InChIInChI=1S/C18H22N2O/c1-20(13-16-7-9-21-14-16)12-15-4-2-5-17(10-15)18-6-3-8-19-11-18/h2-6,8,10-11,16H,7,9,12-14H2,1H3/t16-/m1/s1
InChIKeyBPMWDBASJCOSKV-MRXNPFEDSA-N
XLogP3.22
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-1-(oxolan-3-yl)methanamine
CID 75471009
N-[[(3S)-oxolan-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 95285929
N-[(3-bromophenyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 63711588
N-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-N-methyl-1-(oxolan-3-yl)methanamine
CID 77095526
N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine
CID 55227611
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175
N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63706317
3-(oxan-4-ylmethyl)pyridine;hydrochloride
CID 175648027
N,2-dimethyl-3-[methyl-[(3-pyridin-3-ylphenyl)methyl]amino]propanamide
CID 75439559
N-[(1-ethylindol-6-yl)methyl]-N-methyl-1-[(3R)-oxolan-3-yl]methanamine
CID 164640158
N-ethyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyridin-2-amine
CID 55228180
3-[cyclopropyl-[(3-pyridin-3-ylphenyl)methyl]amino]-2-methyl-3-oxopropanoic acid
CID 122066362

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3R)-oxolan-3-yl]-N-[(3-pyridin-3-ylphenyl)methyl]methanamine?
The IUPAC name of N-methyl-1-[(3R)-oxolan-3-yl]-N-[(3-pyridin-3-ylphenyl)methyl]methanamine (CID 97160402) is N-methyl-1-[(3R)-oxolan-3-yl]-N-[(3-pyridin-3-ylphenyl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[(3R)-oxolan-3-yl]-N-[(3-pyridin-3-ylphenyl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[(3R)-oxolan-3-yl]-N-[(3-pyridin-3-ylphenyl)methyl]methanamine is CN(Cc1cccc(-c2cccnc2)c1)C[C@H]1CCOC1.
What is the InChIKey of N-methyl-1-[(3R)-oxolan-3-yl]-N-[(3-pyridin-3-ylphenyl)methyl]methanamine?
The InChIKey is BPMWDBASJCOSKV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O/c1-20(13-16-7-9-21-14-16)12-15-4-2-5-17(10-15)18-6-3-8-19-11-18/h2-6,8,10-11,16H,7,9,12-14H2,1H3/t16-/m1/s1.
What are the key properties of N-methyl-1-[(3R)-oxolan-3-yl]-N-[(3-pyridin-3-ylphenyl)methyl]methanamine?
N-methyl-1-[(3R)-oxolan-3-yl]-N-[(3-pyridin-3-ylphenyl)methyl]methanamine has a molecular weight of 282.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3R)-oxolan-3-yl]-N-[(3-pyridin-3-ylphenyl)methyl]methanamine is sourced from PubChem (CID 97160402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).