(3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine

C14H21NO — CID 115797335

IUPAC(3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine
SMILESCc1cc(C)cc(C(N)C2CCOC2C)c1
InChIInChI=1S/C14H21NO/c1-9-6-10(2)8-12(7-9)14(15)13-4-5-16-11(13)3/h6-8,11,13-14H,4-5,15H2,1-3H3
InChIKeyMHJKEDCGYUHARL-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.73
Rot. Bonds2

About (3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine

(3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine (PubChem CID 115797335) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine
PubChem CID115797335
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine
SMILESCc1cc(C)cc(C(N)C2CCOC2C)c1
InChIInChI=1S/C14H21NO/c1-9-6-10(2)8-12(7-9)14(15)13-4-5-16-11(13)3/h6-8,11,13-14H,4-5,15H2,1-3H3
InChIKeyMHJKEDCGYUHARL-UHFFFAOYSA-N
XLogP2.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 79757879
(4-methoxyphenyl)-(2-methyloxolan-3-yl)methanamine
CID 79758244
(3,5-dimethylthiophen-2-yl)-(2-methyloxolan-3-yl)methanamine
CID 81156780
5-[amino-(2-methyloxolan-3-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 79759243
(4-methoxy-2,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine
CID 105032948
(3-fluoro-5-methylphenyl)-(3-methyloxolan-2-yl)methanamine
CID 105016634
(3,5-dimethylphenyl)-(4-methylcyclohexyl)methanamine
CID 63415986
(2-methyloxolan-3-yl)-(2,4,6-trimethoxyphenyl)methanamine
CID 79759527
(2-methyloxolan-3-yl)-(4-methyl-3-pyridinyl)methanamine
CID 105006588
(2-methyloxolan-3-yl)-(1-propylpyrazol-4-yl)methanamine
CID 115808146
(S)-cyclobutyl-(3,5-dimethylphenyl)methanamine
CID 130055056
(2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105397164

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine?
The IUPAC name of (3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine (CID 115797335) is (3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for (3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine?
The canonical SMILES for (3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine is Cc1cc(C)cc(C(N)C2CCOC2C)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine?
The InChIKey is MHJKEDCGYUHARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-6-10(2)8-12(7-9)14(15)13-4-5-16-11(13)3/h6-8,11,13-14H,4-5,15H2,1-3H3.
What are the key properties of (3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine?
(3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(2-methyloxolan-3-yl)methanamine is sourced from PubChem (CID 115797335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).