N-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine

C14H21NO — CID 62719007

IUPACN-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine
SMILESCNCC1(Cc2cccc(C)c2)CCOC1
InChIInChI=1S/C14H21NO/c1-12-4-3-5-13(8-12)9-14(10-15-2)6-7-16-11-14/h3-5,8,15H,6-7,9-11H2,1-2H3
InChIKeyOYAQDSSRIHJOMR-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.16
Rot. Bonds4

About N-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine

N-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine (PubChem CID 62719007) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine
PubChem CID62719007
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine
SMILESCNCC1(Cc2cccc(C)c2)CCOC1
InChIInChI=1S/C14H21NO/c1-12-4-3-5-13(8-12)9-14(10-15-2)6-7-16-11-14/h3-5,8,15H,6-7,9-11H2,1-2H3
InChIKeyOYAQDSSRIHJOMR-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62718039
N-[[3-[(3-methylphenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62719920
N-methyl-1-[1-[(3-methylphenyl)methyl]cyclopentyl]methanamine
CID 62724183
1-[3-[(4-chlorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 62718017
1-(4-benzyloxan-4-yl)-N-methylmethanamine
CID 62905192
N-methyl-1-[3-(thiophen-3-ylmethyl)oxolan-3-yl]methanamine
CID 62719550
N-[[3-[(3-chlorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 62719571
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine
CID 115244764
1-[4-[(2,5-dimethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 55131213
N-[(3-benzyloxolan-3-yl)methyl]-2-methylpropan-2-amine
CID 62719389
1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
CID 62905195
N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine
CID 62596266

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine (CID 62719007) is N-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine is CNCC1(Cc2cccc(C)c2)CCOC1.
What is the InChIKey of N-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine?
The InChIKey is OYAQDSSRIHJOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12-4-3-5-13(8-12)9-14(10-15-2)6-7-16-11-14/h3-5,8,15H,6-7,9-11H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine?
N-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 62719007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).