(4-phenyloxan-3-yl)methanamine

C12H17NO — CID 84772062

IUPAC(4-phenyloxan-3-yl)methanamine
SMILESNCC1COCCC1c1ccccc1
InChIInChI=1S/C12H17NO/c13-8-11-9-14-7-6-12(11)10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2
InChIKeyCZSFKGQUJVNHGZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.77
Rot. Bonds2

About (4-phenyloxan-3-yl)methanamine

(4-phenyloxan-3-yl)methanamine (PubChem CID 84772062) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (4-phenyloxan-3-yl)methanamine.

Molecular Properties

Compound Name(4-phenyloxan-3-yl)methanamine
PubChem CID84772062
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(4-phenyloxan-3-yl)methanamine
SMILESNCC1COCCC1c1ccccc1
InChIInChI=1S/C12H17NO/c13-8-11-9-14-7-6-12(11)10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2
InChIKeyCZSFKGQUJVNHGZ-UHFFFAOYSA-N
XLogP1.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-methoxyphenyl)oxan-3-yl]methanamine
CID 84788082
[(1R,2R)-2-phenylcyclobutyl]methanamine
CID 121206987
(3S,4R)-3-phenyloxan-4-amine
CID 140767373
[4-(2-methylphenyl)oxan-3-yl]methanamine
CID 84778691
[(3R,4R)-1-[2-(oxolan-3-yl)ethyl]-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120846682
(3R)-3-phenyloxolane
CID 92859476
[(2S,3S)-2-phenyloxan-3-yl]methanamine
CID 51892912
1-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120743012
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone;hydrochloride
CID 120742248
4-(3-fluorophenyl)oxan-3-amine
CID 84773511
[(1S,2S)-2-phenylcyclobutyl]methanol
CID 99991987
N-(2-phenylcyclohexyl)oxolan-3-amine
CID 80716893

Frequently Asked Questions

What is the IUPAC name of (4-phenyloxan-3-yl)methanamine?
The IUPAC name of (4-phenyloxan-3-yl)methanamine (CID 84772062) is (4-phenyloxan-3-yl)methanamine.
What is the SMILES notation for (4-phenyloxan-3-yl)methanamine?
The canonical SMILES for (4-phenyloxan-3-yl)methanamine is NCC1COCCC1c1ccccc1.
What is the InChIKey of (4-phenyloxan-3-yl)methanamine?
The InChIKey is CZSFKGQUJVNHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-8-11-9-14-7-6-12(11)10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2.
What are the key properties of (4-phenyloxan-3-yl)methanamine?
(4-phenyloxan-3-yl)methanamine has a molecular weight of 191.27 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyloxan-3-yl)methanamine is sourced from PubChem (CID 84772062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).