N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine

C16H25NO — CID 115718211

IUPACN-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
SMILESCc1cc(C)cc(C(C)NC(C)C2CCOC2)c1
InChIInChI=1S/C16H25NO/c1-11-7-12(2)9-16(8-11)14(4)17-13(3)15-5-6-18-10-15/h7-9,13-15,17H,5-6,10H2,1-4H3
InChIKeyWPSZYTNLZCNIHQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.38
Rot. Bonds4

About N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine

N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 115718211) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
PubChem CID115718211
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
SMILESCc1cc(C)cc(C(C)NC(C)C2CCOC2)c1
InChIInChI=1S/C16H25NO/c1-11-7-12(2)9-16(8-11)14(4)17-13(3)15-5-6-18-10-15/h7-9,13-15,17H,5-6,10H2,1-4H3
InChIKeyWPSZYTNLZCNIHQ-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxolan-3-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 115714685
N,N-dimethyl-4-[1-[1-(oxolan-3-yl)ethylamino]ethyl]aniline
CID 115723946
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115713183
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 113483469
3-[(1R)-1-[[(1R)-1-[(3S)-oxolan-3-yl]ethyl]amino]ethyl]phenol
CID 99629144
4-methyl-2-[1-[1-(oxolan-3-yl)ethylamino]ethyl]phenol
CID 113429377
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 103786183
N-[1-(2-methylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115704048
N-[1-(1-methylpyrazol-4-yl)ethyl]-1-(oxolan-3-yl)ethanamine
CID 115723445
1-(oxolan-3-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 115704677
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine (CID 115718211) is N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine is Cc1cc(C)cc(C(C)NC(C)C2CCOC2)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is WPSZYTNLZCNIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-7-12(2)9-16(8-11)14(4)17-13(3)15-5-6-18-10-15/h7-9,13-15,17H,5-6,10H2,1-4H3.
What are the key properties of N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine?
N-[1-(3,5-dimethylphenyl)ethyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.38, 4 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]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 115718211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).