N-(1-phenylethyl)oxan-4-amine

C13H19NO — CID 43608319

IUPACN-(1-phenylethyl)oxan-4-amine
SMILESCC(NC1CCOCC1)c1ccccc1
InChIInChI=1S/C13H19NO/c1-11(12-5-3-2-4-6-12)14-13-7-9-15-10-8-13/h2-6,11,13-14H,7-10H2,1H3
InChIKeySLWFJVYWKIATHJ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.52
Rot. Bonds3

About N-(1-phenylethyl)oxan-4-amine

N-(1-phenylethyl)oxan-4-amine (PubChem CID 43608319) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(1-phenylethyl)oxan-4-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)oxan-4-amine
PubChem CID43608319
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-(1-phenylethyl)oxan-4-amine
SMILESCC(NC1CCOCC1)c1ccccc1
InChIInChI=1S/C13H19NO/c1-11(12-5-3-2-4-6-12)14-13-7-9-15-10-8-13/h2-6,11,13-14H,7-10H2,1H3
InChIKeySLWFJVYWKIATHJ-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine
CID 81405595
N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine
CID 81354361
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413
4-[1-(oxan-4-ylamino)ethyl]phenol
CID 43609894
N-(1-phenylethyl)cyclododecanamine
CID 60662638
N-[(1R)-1-(3-methoxyphenyl)ethyl]oxan-4-amine
CID 81376724
N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 81351686
N-[(1S)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81374300
N-[(1R)-1-(2-methylphenyl)ethyl]oxan-4-amine
CID 81373739
N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine
CID 43609832
(4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 756075
4-(1-phenylethylamino)cyclohexan-1-one
CID 85299534

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)oxan-4-amine?
The IUPAC name of N-(1-phenylethyl)oxan-4-amine (CID 43608319) is N-(1-phenylethyl)oxan-4-amine.
What is the SMILES notation for N-(1-phenylethyl)oxan-4-amine?
The canonical SMILES for N-(1-phenylethyl)oxan-4-amine is CC(NC1CCOCC1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)oxan-4-amine?
The InChIKey is SLWFJVYWKIATHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-11(12-5-3-2-4-6-12)14-13-7-9-15-10-8-13/h2-6,11,13-14H,7-10H2,1H3.
What are the key properties of N-(1-phenylethyl)oxan-4-amine?
N-(1-phenylethyl)oxan-4-amine has a molecular weight of 205.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)oxan-4-amine is sourced from PubChem (CID 43608319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).