(4-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanamine

C14H19NO2S — CID 114519626

IUPAC(4-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanamine
SMILESNC(c1ccc(OC2CC2)cc1)C1CSCCO1
InChIInChI=1S/C14H19NO2S/c15-14(13-9-18-8-7-16-13)10-1-3-11(4-2-10)17-12-5-6-12/h1-4,12-14H,5-9,15H2
InChIKeyOCDLRXOWTZTIQE-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.36
Rot. Bonds4

About (4-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanamine

(4-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanamine (PubChem CID 114519626) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is (4-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanamine.

Molecular Properties

Compound Name(4-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanamine
PubChem CID114519626
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC Name(4-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanamine
SMILESNC(c1ccc(OC2CC2)cc1)C1CSCCO1
InChIInChI=1S/C14H19NO2S/c15-14(13-9-18-8-7-16-13)10-1-3-11(4-2-10)17-12-5-6-12/h1-4,12-14H,5-9,15H2
InChIKeyOCDLRXOWTZTIQE-UHFFFAOYSA-N
XLogP2.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-oxathian-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 79962415
(3-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanol
CID 114521401
cycloheptyl-(4-cyclopropyloxyphenyl)methanamine
CID 114519512
(3-cyclobutylphenyl)-(1,4-oxathian-2-yl)methanamine
CID 114603995
(4-ethoxyphenyl)-(1,4-oxathian-2-yl)methanol
CID 79963801
[(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249218
1-(4-cyclopropyloxyphenyl)-2-methylpropan-1-amine
CID 114519212
(4-cyclopropyloxyphenyl)-(4-propylcyclohexyl)methanamine
CID 114519515
(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine
CID 105395270
(4-cyclopropyloxyphenyl)-(4-fluorophenyl)methanamine
CID 114519186
(5-chloro-2-methoxyphenyl)-(1,4-oxathian-2-yl)methanamine
CID 79963116
1-(4-cyclopropyloxyphenyl)-1-(1,4-dioxan-2-yl)-N-methylmethanamine
CID 105051615

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanamine?
The IUPAC name of (4-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanamine (CID 114519626) is (4-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanamine.
What is the SMILES notation for (4-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanamine?
The canonical SMILES for (4-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanamine is NC(c1ccc(OC2CC2)cc1)C1CSCCO1.
What is the InChIKey of (4-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanamine?
The InChIKey is OCDLRXOWTZTIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c15-14(13-9-18-8-7-16-13)10-1-3-11(4-2-10)17-12-5-6-12/h1-4,12-14H,5-9,15H2.
What are the key properties of (4-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanamine?
(4-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanamine has a molecular weight of 265.38 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyloxyphenyl)-(1,4-oxathian-2-yl)methanamine is sourced from PubChem (CID 114519626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).