(4-ethoxyoxan-4-yl)-phenylmethanamine

C14H21NO2 — CID 116765292

IUPAC(4-ethoxyoxan-4-yl)-phenylmethanamine
SMILESCCOC1(C(N)c2ccccc2)CCOCC1
InChIInChI=1S/C14H21NO2/c1-2-17-14(8-10-16-11-9-14)13(15)12-6-4-3-5-7-12/h3-7,13H,2,8-11,15H2,1H3
InChIKeyLOLHVFKCUCNDAC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.27
Rot. Bonds4

About (4-ethoxyoxan-4-yl)-phenylmethanamine

(4-ethoxyoxan-4-yl)-phenylmethanamine (PubChem CID 116765292) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (4-ethoxyoxan-4-yl)-phenylmethanamine.

Molecular Properties

Compound Name(4-ethoxyoxan-4-yl)-phenylmethanamine
PubChem CID116765292
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(4-ethoxyoxan-4-yl)-phenylmethanamine
SMILESCCOC1(C(N)c2ccccc2)CCOCC1
InChIInChI=1S/C14H21NO2/c1-2-17-14(8-10-16-11-9-14)13(15)12-6-4-3-5-7-12/h3-7,13H,2,8-11,15H2,1H3
InChIKeyLOLHVFKCUCNDAC-UHFFFAOYSA-N
XLogP2.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxyoxan-4-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 116765461
1-(4-ethoxyoxan-4-yl)-N-methyl-1-phenylmethanamine
CID 116765565
N-[(4-ethoxyoxan-4-yl)-phenylmethyl]propan-1-amine
CID 116765963
(1-ethoxycyclopentyl)-(4-propan-2-ylphenyl)methanamine
CID 116761580
(2,4-difluorophenyl)-(4-ethoxyoxan-4-yl)methanamine
CID 116765464
(1-ethoxycyclopentyl)-pyridin-3-ylmethanamine
CID 116761702
3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine
CID 102648122
(4-ethoxyoxan-4-yl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433961
(4-ethoxyoxan-4-yl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106680981
(1-ethoxycyclohexyl)-(3-methoxyphenyl)methanamine
CID 116763600
[(4-ethoxyoxan-4-yl)-(2-methylphenyl)methyl]hydrazine
CID 105276746
(1-ethoxycyclopentyl)-(4-propan-2-yloxyphenyl)methanamine
CID 116761739

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyoxan-4-yl)-phenylmethanamine?
The IUPAC name of (4-ethoxyoxan-4-yl)-phenylmethanamine (CID 116765292) is (4-ethoxyoxan-4-yl)-phenylmethanamine.
What is the SMILES notation for (4-ethoxyoxan-4-yl)-phenylmethanamine?
The canonical SMILES for (4-ethoxyoxan-4-yl)-phenylmethanamine is CCOC1(C(N)c2ccccc2)CCOCC1.
What is the InChIKey of (4-ethoxyoxan-4-yl)-phenylmethanamine?
The InChIKey is LOLHVFKCUCNDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-17-14(8-10-16-11-9-14)13(15)12-6-4-3-5-7-12/h3-7,13H,2,8-11,15H2,1H3.
What are the key properties of (4-ethoxyoxan-4-yl)-phenylmethanamine?
(4-ethoxyoxan-4-yl)-phenylmethanamine has a molecular weight of 235.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyoxan-4-yl)-phenylmethanamine is sourced from PubChem (CID 116765292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).