1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine

C14H21NO — CID 61271037

IUPAC1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCNC(c1ccc(C)c(C)c1)C1CCOC1
InChIInChI=1S/C14H21NO/c1-10-4-5-12(8-11(10)2)14(15-3)13-6-7-16-9-13/h4-5,8,13-15H,6-7,9H2,1-3H3
InChIKeyALECVLYUBLKAMZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.60
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine

1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine (PubChem CID 61271037) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
PubChem CID61271037
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
SMILESCNC(c1ccc(C)c(C)c1)C1CCOC1
InChIInChI=1S/C14H21NO/c1-10-4-5-12(8-11(10)2)14(15-3)13-6-7-16-9-13/h4-5,8,13-15H,6-7,9H2,1-3H3
InChIKeyALECVLYUBLKAMZ-UHFFFAOYSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131203
1-(4-fluoro-3,5-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65298857
1-(4-fluorophenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 61273212
1-(5-chloro-2-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 115856559
N-methyl-1-(oxolan-3-yl)-1-(4-propan-2-yloxyphenyl)methanamine
CID 61276553
1-(3-bromo-5-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 115856457
1-(3,4-dimethylphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105140321
2-methyl-7-[methylamino(oxolan-3-yl)methyl]-4H-isoquinoline-1,3-dione
CID 63097508
N-[(3-methoxy-4-methylphenyl)-(oxolan-3-yl)methyl]propan-1-amine
CID 115856489
(S)-(3,4-dimethylphenyl)-(oxan-4-yl)methanamine
CID 94891825
1-(2,5-dibromo-4-methylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 81473942
4-methyl-3-[methylamino(oxolan-3-yl)methyl]pyridin-2-amine
CID 65329909

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine (CID 61271037) is 1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine is CNC(c1ccc(C)c(C)c1)C1CCOC1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine?
The InChIKey is ALECVLYUBLKAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-4-5-12(8-11(10)2)14(15-3)13-6-7-16-9-13/h4-5,8,13-15H,6-7,9H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine?
1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-methyl-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 61271037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).