1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine

C14H18N2O2 — CID 171328466

IUPAC1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine
SMILESCOc1cccc(CN(C)Cc2coc(C)n2)c1
InChIInChI=1S/C14H18N2O2/c1-11-15-13(10-18-11)9-16(2)8-12-5-4-6-14(7-12)17-3/h4-7,10H,8-9H2,1-3H3
InChIKeyROHWUKCAHYMICL-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.62
Rot. Bonds5

About 1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine

1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine (PubChem CID 171328466) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine
PubChem CID171328466
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine
SMILESCOc1cccc(CN(C)Cc2coc(C)n2)c1
InChIInChI=1S/C14H18N2O2/c1-11-15-13(10-18-11)9-16(2)8-12-5-4-6-14(7-12)17-3/h4-7,10H,8-9H2,1-3H3
InChIKeyROHWUKCAHYMICL-UHFFFAOYSA-N
XLogP2.62
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-N-methylmethanamine
CID 22070460
3-(3-methoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110714640
[5-[[(3-methoxyphenyl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methanamine
CID 62412644
N-[(2,5-difluorophenyl)methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 171329064
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylaniline
CID 61418042
[4-fluoro-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 64769897
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 171328455
N-[[2-(2,5-difluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 26393221
4-[(dimethylamino)methyl]-N,N-bis[(3-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 167465546
7-[[(3-methoxyphenyl)methyl-methylamino]methyl]-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 91833106
1-(3-methoxyphenyl)-N-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]methanamine
CID 30136620

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine (CID 171328466) is 1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine is COc1cccc(CN(C)Cc2coc(C)n2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine?
The InChIKey is ROHWUKCAHYMICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-11-15-13(10-18-11)9-16(2)8-12-5-4-6-14(7-12)17-3/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine?
1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]methanamine is sourced from PubChem (CID 171328466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).