2-(4-cyclopropylphenyl)-N-ethyloxan-4-amine

C16H23NO — CID 79978003

IUPAC2-(4-cyclopropylphenyl)-N-ethyloxan-4-amine
SMILESCCNC1CCOC(c2ccc(C3CC3)cc2)C1
InChIInChI=1S/C16H23NO/c1-2-17-15-9-10-18-16(11-15)14-7-5-13(6-8-14)12-3-4-12/h5-8,12,15-17H,2-4,9-11H2,1H3
InChIKeyNPDAXRNIFZAJNT-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.39
Rot. Bonds4

About 2-(4-cyclopropylphenyl)-N-ethyloxan-4-amine

2-(4-cyclopropylphenyl)-N-ethyloxan-4-amine (PubChem CID 79978003) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-N-ethyloxan-4-amine.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)-N-ethyloxan-4-amine
PubChem CID79978003
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(4-cyclopropylphenyl)-N-ethyloxan-4-amine
SMILESCCNC1CCOC(c2ccc(C3CC3)cc2)C1
InChIInChI=1S/C16H23NO/c1-2-17-15-9-10-18-16(11-15)14-7-5-13(6-8-14)12-3-4-12/h5-8,12,15-17H,2-4,9-11H2,1H3
InChIKeyNPDAXRNIFZAJNT-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyclopropylphenyl)-N-methyloxan-4-amine
CID 79977889
(2R,4S)-2-(4-fluorophenyl)-N-methyloxan-4-amine
CID 95335747
N-ethyl-2-(2-methylpyrimidin-4-yl)oxan-4-amine
CID 115529255
N-ethyl-2-(3-ethylimidazol-4-yl)oxan-4-amine
CID 66132492
2-(5-chloroquinolin-8-yl)-N-ethyloxan-4-amine
CID 115960467
4-ethoxy-2-(4-fluorophenyl)oxane
CID 163836652
2-(2-cyclopropylphenyl)-N-methyloxan-4-amine
CID 79982596
2-(5-fluoro-2-methylphenyl)-N-propyloxan-4-amine
CID 114075963
3-(4-cyclopropyloxyphenyl)-N-ethylcycloheptan-1-amine
CID 114520158
2-(2-ethylpyrazol-3-yl)-N-propyloxan-4-amine
CID 114557849
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylcycloheptan-1-amine
CID 104544363
N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 79983701

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-N-ethyloxan-4-amine?
The IUPAC name of 2-(4-cyclopropylphenyl)-N-ethyloxan-4-amine (CID 79978003) is 2-(4-cyclopropylphenyl)-N-ethyloxan-4-amine.
What is the SMILES notation for 2-(4-cyclopropylphenyl)-N-ethyloxan-4-amine?
The canonical SMILES for 2-(4-cyclopropylphenyl)-N-ethyloxan-4-amine is CCNC1CCOC(c2ccc(C3CC3)cc2)C1.
What is the InChIKey of 2-(4-cyclopropylphenyl)-N-ethyloxan-4-amine?
The InChIKey is NPDAXRNIFZAJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-2-17-15-9-10-18-16(11-15)14-7-5-13(6-8-14)12-3-4-12/h5-8,12,15-17H,2-4,9-11H2,1H3.
What are the key properties of 2-(4-cyclopropylphenyl)-N-ethyloxan-4-amine?
2-(4-cyclopropylphenyl)-N-ethyloxan-4-amine has a molecular weight of 245.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)-N-ethyloxan-4-amine is sourced from PubChem (CID 79978003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).