oxan-4-yl-(4-phenoxyphenyl)methanamine

C18H21NO2 — CID 62906011

IUPACoxan-4-yl-(4-phenoxyphenyl)methanamine
SMILESNC(c1ccc(Oc2ccccc2)cc1)C1CCOCC1
InChIInChI=1S/C18H21NO2/c19-18(15-10-12-20-13-11-15)14-6-8-17(9-7-14)21-16-4-2-1-3-5-16/h1-9,15,18H,10-13,19H2
InChIKeyPWSNBCOFSFHJOG-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.91
Rot. Bonds4

About oxan-4-yl-(4-phenoxyphenyl)methanamine

oxan-4-yl-(4-phenoxyphenyl)methanamine (PubChem CID 62906011) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is oxan-4-yl-(4-phenoxyphenyl)methanamine.

Molecular Properties

Compound Nameoxan-4-yl-(4-phenoxyphenyl)methanamine
PubChem CID62906011
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Nameoxan-4-yl-(4-phenoxyphenyl)methanamine
SMILESNC(c1ccc(Oc2ccccc2)cc1)C1CCOCC1
InChIInChI=1S/C18H21NO2/c19-18(15-10-12-20-13-11-15)14-6-8-17(9-7-14)21-16-4-2-1-3-5-16/h1-9,15,18H,10-13,19H2
InChIKeyPWSNBCOFSFHJOG-UHFFFAOYSA-N
XLogP3.91
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(3,4-diphenoxyphenyl)-(oxan-4-yl)methanamine
CID 171238967
(R)-oxan-4-yl-(4-propan-2-yloxyphenyl)methanamine;hydrochloride
CID 171250022
azetidin-3-yl-(4-phenoxyphenyl)methanamine
CID 116935313
(R)-naphthalen-2-yl(oxan-4-yl)methanamine
CID 171246771
(R)-naphthalen-2-yl(oxan-4-yl)methanamine;hydrochloride
CID 171246772
(R)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891776
4-[(R)-amino(oxan-4-yl)methyl]phenol
CID 131289814
(S)-(4-methylphenyl)-(oxan-4-yl)methanamine
CID 94891785
(S)-(4-fluorophenyl)-(oxan-4-yl)methanamine
CID 94891777
1-[(S)-oxan-4-yl-(4-phenoxyphenyl)methyl]piperazine
CID 171279715
(R)-oxan-4-yl(pyridin-3-yl)methanamine
CID 15549943
(S)-9H-fluoren-2-yl(oxan-4-yl)methanamine
CID 171244179

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-(4-phenoxyphenyl)methanamine?
The IUPAC name of oxan-4-yl-(4-phenoxyphenyl)methanamine (CID 62906011) is oxan-4-yl-(4-phenoxyphenyl)methanamine.
What is the SMILES notation for oxan-4-yl-(4-phenoxyphenyl)methanamine?
The canonical SMILES for oxan-4-yl-(4-phenoxyphenyl)methanamine is NC(c1ccc(Oc2ccccc2)cc1)C1CCOCC1.
What is the InChIKey of oxan-4-yl-(4-phenoxyphenyl)methanamine?
The InChIKey is PWSNBCOFSFHJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c19-18(15-10-12-20-13-11-15)14-6-8-17(9-7-14)21-16-4-2-1-3-5-16/h1-9,15,18H,10-13,19H2.
What are the key properties of oxan-4-yl-(4-phenoxyphenyl)methanamine?
oxan-4-yl-(4-phenoxyphenyl)methanamine has a molecular weight of 283.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-(4-phenoxyphenyl)methanamine is sourced from PubChem (CID 62906011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).