N-[1-(4-ethylphenyl)-2-methylpropyl]oxolan-3-amine

C16H25NO — CID 119164778

IUPACN-[1-(4-ethylphenyl)-2-methylpropyl]oxolan-3-amine
SMILESCCc1ccc(C(NC2CCOC2)C(C)C)cc1
InChIInChI=1S/C16H25NO/c1-4-13-5-7-14(8-6-13)16(12(2)3)17-15-9-10-18-11-15/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyOEHNEBRGKBIIAE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.32
Rot. Bonds5

About N-[1-(4-ethylphenyl)-2-methylpropyl]oxolan-3-amine

N-[1-(4-ethylphenyl)-2-methylpropyl]oxolan-3-amine (PubChem CID 119164778) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)-2-methylpropyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)-2-methylpropyl]oxolan-3-amine
PubChem CID119164778
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[1-(4-ethylphenyl)-2-methylpropyl]oxolan-3-amine
SMILESCCc1ccc(C(NC2CCOC2)C(C)C)cc1
InChIInChI=1S/C16H25NO/c1-4-13-5-7-14(8-6-13)16(12(2)3)17-15-9-10-18-11-15/h5-8,12,15-17H,4,9-11H2,1-3H3
InChIKeyOEHNEBRGKBIIAE-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[(1R)-1-(4-ethylphenyl)ethyl]oxolan-3-amine
CID 95379352
(3R)-N-[(1S)-1-(4-ethylphenyl)ethyl]oxolan-3-amine
CID 95379351
N-[1-(4-ethylphenyl)-2-methylpropyl]-1,1-dioxothian-4-amine
CID 43511667
1-(4-ethylphenyl)-2-methyl-N-(oxan-3-ylmethyl)propan-1-amine
CID 63738232
3-[chloro-(4-ethylphenyl)methyl]oxolane
CID 61277504
4-ethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868831
N-(2-methylpentan-3-yl)oxolan-3-amine
CID 63335155
N-[1-(4-ethylphenyl)-2-methylpropyl]oxolane-2-carboxamide
CID 78810784
N-[1-(3-fluorophenyl)propyl]oxolan-3-amine
CID 114871720
(4-ethylphenyl)-(oxan-3-yl)methanol
CID 63014910
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine
CID 80716691
N-(4-phenylbutan-2-yl)oxolan-3-amine
CID 63331840

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)-2-methylpropyl]oxolan-3-amine?
The IUPAC name of N-[1-(4-ethylphenyl)-2-methylpropyl]oxolan-3-amine (CID 119164778) is N-[1-(4-ethylphenyl)-2-methylpropyl]oxolan-3-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)-2-methylpropyl]oxolan-3-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)-2-methylpropyl]oxolan-3-amine is CCc1ccc(C(NC2CCOC2)C(C)C)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)-2-methylpropyl]oxolan-3-amine?
The InChIKey is OEHNEBRGKBIIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-13-5-7-14(8-6-13)16(12(2)3)17-15-9-10-18-11-15/h5-8,12,15-17H,4,9-11H2,1-3H3.
What are the key properties of N-[1-(4-ethylphenyl)-2-methylpropyl]oxolan-3-amine?
N-[1-(4-ethylphenyl)-2-methylpropyl]oxolan-3-amine has a molecular weight of 247.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)-2-methylpropyl]oxolan-3-amine is sourced from PubChem (CID 119164778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).