(2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine

C17H27NO — CID 116544912

IUPAC(2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)C2(C)CCCCO2)c1
InChIInChI=1S/C17H27NO/c1-13(2)11-14-7-6-8-15(12-14)16(18)17(3)9-4-5-10-19-17/h6-8,12-13,16H,4-5,9-11,18H2,1-3H3
InChIKeyOCIVWIGFNDGFIY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.84
Rot. Bonds4

About (2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine

(2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine (PubChem CID 116544912) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine.

Molecular Properties

Compound Name(2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
PubChem CID116544912
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine
SMILESCC(C)Cc1cccc(C(N)C2(C)CCCCO2)c1
InChIInChI=1S/C17H27NO/c1-13(2)11-14-7-6-8-15(12-14)16(18)17(3)9-4-5-10-19-17/h6-8,12-13,16H,4-5,9-11,18H2,1-3H3
InChIKeyOCIVWIGFNDGFIY-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanamine
CID 80685196
(2-methyloxan-2-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 80685342
[3-(2-methylpropyl)phenyl]-(1-phenylcyclopropyl)methanamine
CID 116544293
1-[hydroxy-[3-(2-methylpropyl)phenyl]methyl]cyclohexan-1-ol
CID 103451727
(2-methyloxan-2-yl)-(4-propoxyphenyl)methanamine
CID 80684429
(4,4-dimethylcyclohexyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116544530
[3-(2-methylpropyl)phenyl]-(oxan-2-yl)methanamine
CID 105050818
cyclooctyl-[3-(2-methylpropyl)phenyl]methanamine
CID 116544893
1-(2-methyloxan-2-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 80683608
N-methyl-1-(2-methyloxan-2-yl)-1-(3-propylphenyl)methanamine
CID 116544913
[(3-ethylphenyl)-(2-methyloxolan-2-yl)methyl]hydrazine
CID 105250686
N,N-dimethyl-1-[methylamino-[3-(2-methylpropyl)phenyl]methyl]cyclopentan-1-amine
CID 116544690

Frequently Asked Questions

What is the IUPAC name of (2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine?
The IUPAC name of (2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine (CID 116544912) is (2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine.
What is the SMILES notation for (2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine?
The canonical SMILES for (2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine is CC(C)Cc1cccc(C(N)C2(C)CCCCO2)c1.
What is the InChIKey of (2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine?
The InChIKey is OCIVWIGFNDGFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)11-14-7-6-8-15(12-14)16(18)17(3)9-4-5-10-19-17/h6-8,12-13,16H,4-5,9-11,18H2,1-3H3.
What are the key properties of (2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine?
(2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxan-2-yl)-[3-(2-methylpropyl)phenyl]methanamine is sourced from PubChem (CID 116544912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).