1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine

C15H23NO — CID 54940082

IUPAC1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
SMILESCc1ccccc1C(C)NCC1CCCCO1
InChIInChI=1S/C15H23NO/c1-12-7-3-4-9-15(12)13(2)16-11-14-8-5-6-10-17-14/h3-4,7,9,13-14,16H,5-6,8,10-11H2,1-2H3
InChIKeyIIPXERXFPTYJIQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.21
Rot. Bonds4

About 1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine

1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine (PubChem CID 54940082) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
PubChem CID54940082
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
SMILESCc1ccccc1C(C)NCC1CCCCO1
InChIInChI=1S/C15H23NO/c1-12-7-3-4-9-15(12)13(2)16-11-14-8-5-6-10-17-14/h3-4,7,9,13-14,16H,5-6,8,10-11H2,1-2H3
InChIKeyIIPXERXFPTYJIQ-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179194
1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 103915785
N-[(1S)-1-(2-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81374337
1-(furan-2-yl)-N-(oxan-2-ylmethyl)ethanamine
CID 43403758
(1S)-N-(oxan-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 81409334
1-(2,3-dichlorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 113259759
(1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 81374031
1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 55014378
1-(4-iodophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 55014093
N-(oxan-2-ylmethyl)-4-phenylbutan-2-amine
CID 60688470
2-methyl-N-(oxan-2-ylmethyl)-1-phenylpropan-1-amine
CID 54940930

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine (CID 54940082) is 1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine is Cc1ccccc1C(C)NCC1CCCCO1.
What is the InChIKey of 1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine?
The InChIKey is IIPXERXFPTYJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-7-3-4-9-15(12)13(2)16-11-14-8-5-6-10-17-14/h3-4,7,9,13-14,16H,5-6,8,10-11H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine?
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine has a molecular weight of 233.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine is sourced from PubChem (CID 54940082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).