1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine

C16H25NO — CID 62905195

IUPAC1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
SMILESCCc1ccc(CC2(CNC)CCOCC2)cc1
InChIInChI=1S/C16H25NO/c1-3-14-4-6-15(7-5-14)12-16(13-17-2)8-10-18-11-9-16/h4-7,17H,3,8-13H2,1-2H3
InChIKeySHJCJLVPOBVPHL-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.81
Rot. Bonds5

About 1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine

1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine (PubChem CID 62905195) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
PubChem CID62905195
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine
SMILESCCc1ccc(CC2(CNC)CCOCC2)cc1
InChIInChI=1S/C16H25NO/c1-3-14-4-6-15(7-5-14)12-16(13-17-2)8-10-18-11-9-16/h4-7,17H,3,8-13H2,1-2H3
InChIKeySHJCJLVPOBVPHL-UHFFFAOYSA-N
XLogP2.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-(4-Fluorophenyl)oxan-4-yl)methanamine
CID 6484227
(4-(3-Fluorophenyl)oxan-4-yl)methanamine
CID 17609124
N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 755211
2-(4-benzyl-2-isopropyltetrahydro-2H-pyran-4-yl)ethanamine hydrochloride
CID 16192589
1-(4-Phenyloxan-4-yl)methanamine
CID 6483779
N'-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-methylphenyl)propyl]-N,N-dimethylethane-1,2-diamine
CID 4973317
2-(2-Isopropyl-4-p-tolyl-tetrahydro-pyran-4-yl)-ethylamine
CID 2965330
US11214540, Example 57
CID 155139004
2-[4-benzyl-2-(propan-2-yl)tetrahydro-2H-pyran-4-yl]ethanamine
CID 3100236
Cambridge id 6000352
CID 3132829
N'-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-4-phenylbutyl]-N,N-dimethylpropane-1,3-diamine
CID 4871104
N'-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-3-(4-methylphenyl)propyl]-N,N-dimethylpropane-1,3-diamine
CID 4974479

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine (CID 62905195) is 1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine is CCc1ccc(CC2(CNC)CCOCC2)cc1.
What is the InChIKey of 1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine?
The InChIKey is SHJCJLVPOBVPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-14-4-6-15(7-5-14)12-16(13-17-2)8-10-18-11-9-16/h4-7,17H,3,8-13H2,1-2H3.
What are the key properties of 1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine?
1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine has a molecular weight of 247.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethylphenyl)methyl]oxan-4-yl]-N-methylmethanamine is sourced from PubChem (CID 62905195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).