1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine

C16H25NO2 — CID 55014378

IUPAC1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
SMILESCOc1cc(C)ccc1C(C)NCC1CCCCO1
InChIInChI=1S/C16H25NO2/c1-12-7-8-15(16(10-12)18-3)13(2)17-11-14-6-4-5-9-19-14/h7-8,10,13-14,17H,4-6,9,11H2,1-3H3
InChIKeyKKOIDDBRXNWUDT-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.22
Rot. Bonds5

About 1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine

1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine (PubChem CID 55014378) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
PubChem CID55014378
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
SMILESCOc1cc(C)ccc1C(C)NCC1CCCCO1
InChIInChI=1S/C16H25NO2/c1-12-7-8-15(16(10-12)18-3)13(2)17-11-14-6-4-5-9-19-14/h7-8,10,13-14,17H,4-6,9,11H2,1-3H3
InChIKeyKKOIDDBRXNWUDT-UHFFFAOYSA-N
XLogP3.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2,4-dimethoxyphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 75382385
1-(2-methoxy-4-methylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 54932279
1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methoxy-4-methylphenyl)ethanamine
CID 107386619
N-ethyl-1-[4-methyl-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65158607
1-(2-fluoro-6-methoxyphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 112700305
5-fluoro-2-[1-(oxan-2-ylmethylamino)ethyl]phenol
CID 55146692
(1R)-1-(2-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81378620
1-cyclopropyl-2-[1-(2-methoxy-4-methylphenyl)ethylamino]ethanol
CID 55171592
1-(2-bromophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179194
1-(2,3-difluorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 103915785
1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63950936

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine (CID 55014378) is 1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine is COc1cc(C)ccc1C(C)NCC1CCCCO1.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine?
The InChIKey is KKOIDDBRXNWUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-7-8-15(16(10-12)18-3)13(2)17-11-14-6-4-5-9-19-14/h7-8,10,13-14,17H,4-6,9,11H2,1-3H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine?
1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine is sourced from PubChem (CID 55014378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).