1-(2,4-dimethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine

C14H21NO — CID 78957495

IUPAC1-(2,4-dimethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
SMILESCc1ccc(CNCC2(C)COC2)c(C)c1
InChIInChI=1S/C14H21NO/c1-11-4-5-13(12(2)6-11)7-15-8-14(3)9-16-10-14/h4-6,15H,7-10H2,1-3H3
InChIKeyWIVIASCTGJCVRD-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.43
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine

1-(2,4-dimethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine (PubChem CID 78957495) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
PubChem CID78957495
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(2,4-dimethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
SMILESCc1ccc(CNCC2(C)COC2)c(C)c1
InChIInChI=1S/C14H21NO/c1-11-4-5-13(12(2)6-11)7-15-8-14(3)9-16-10-14/h4-6,15H,7-10H2,1-3H3
InChIKeyWIVIASCTGJCVRD-UHFFFAOYSA-N
XLogP2.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957307
1-(2,5-dimethylfuran-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 115876377
1-(2-bromo-4-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103845158
2,4,6-trimethyl-N-[(3-methyloxetan-3-yl)methyl]aniline
CID 107235336
1-(2,5-dimethylphenyl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 114094777
N-[(3-methyloxetan-3-yl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 78957492
1-(2-fluoro-5-methylphenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 113253102
(2S)-N-[(2,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 59084805
N-[(2,4-dimethylphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 21355535
3-[(2,4-dimethylphenyl)methylcarbamoyl]oxetane-3-carboxylic acid
CID 115184980
3-methyl-4-[[(1-methylcyclobutyl)methylamino]methyl]benzonitrile
CID 114107870
methyl 2-[2-[[(3-methyloxetan-3-yl)methylamino]methyl]phenyl]acetate
CID 115462176

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine?
The IUPAC name of 1-(2,4-dimethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine (CID 78957495) is 1-(2,4-dimethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine?
The canonical SMILES for 1-(2,4-dimethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine is Cc1ccc(CNCC2(C)COC2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine?
The InChIKey is WIVIASCTGJCVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-4-5-13(12(2)6-11)7-15-8-14(3)9-16-10-14/h4-6,15H,7-10H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine?
1-(2,4-dimethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-N-[(3-methyloxetan-3-yl)methyl]methanamine is sourced from PubChem (CID 78957495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).