N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine

C15H23NO — CID 81345202

IUPACN-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine
SMILESCc1cc(C)cc(C(C)NC2CCCOC2)c1
InChIInChI=1S/C15H23NO/c1-11-7-12(2)9-14(8-11)13(3)16-15-5-4-6-17-10-15/h7-9,13,15-16H,4-6,10H2,1-3H3
InChIKeyPJYIJOFEKGXCNZ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.13
Rot. Bonds3

About N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine

N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine (PubChem CID 81345202) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine
PubChem CID81345202
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC NameN-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine
SMILESCc1cc(C)cc(C(C)NC2CCCOC2)c1
InChIInChI=1S/C15H23NO/c1-11-7-12(2)9-14(8-11)13(3)16-15-5-4-6-17-10-15/h7-9,13,15-16H,4-6,10H2,1-3H3
InChIKeyPJYIJOFEKGXCNZ-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,5-dimethylphenyl)ethyl]cyclopentanamine
CID 81300917
N-[1-(4-methylsulfanylphenyl)ethyl]oxan-3-amine
CID 63360226
N-[1-(3,4,5-trimethoxyphenyl)ethyl]oxan-3-amine
CID 63359921
(3R)-N-[1-(furan-3-yl)ethyl]oxan-3-amine
CID 131084239
4-[1-(oxan-3-ylamino)ethyl]benzenesulfonamide
CID 63360384
N-[1-[4-(2-methylpropoxy)phenyl]ethyl]oxan-3-amine
CID 63360332
N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
CID 55188770
N-[(1S)-1-(furan-2-yl)ethyl]oxan-3-amine
CID 81402561
N-[1-(2-methylpyrazol-3-yl)ethyl]oxan-3-amine
CID 106757805
N-[1-(2,6-difluorophenyl)ethyl]oxan-3-amine
CID 63360319
N-[1-(3,5-dimethylphenyl)ethyl]thiolan-3-amine
CID 115718210
N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115718211

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine?
The IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine (CID 81345202) is N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine is Cc1cc(C)cc(C(C)NC2CCCOC2)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine?
The InChIKey is PJYIJOFEKGXCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-7-12(2)9-14(8-11)13(3)16-15-5-4-6-17-10-15/h7-9,13,15-16H,4-6,10H2,1-3H3.
What are the key properties of N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine?
N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine has a molecular weight of 233.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)ethyl]oxan-3-amine is sourced from PubChem (CID 81345202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).