N-[(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine

C19H31NO — CID 65156334

IUPACN-[(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)cc1)C1C(C)OC(C)C1C
InChIInChI=1S/C19H31NO/c1-6-12-20-19(17-10-8-16(7-2)9-11-17)18-13(3)14(4)21-15(18)5/h8-11,13-15,18-20H,6-7,12H2,1-5H3
InChIKeyYEWHUIQXZGCQKZ-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.35
Rot. Bonds6

About N-[(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine

N-[(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 65156334) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
PubChem CID65156334
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)cc1)C1C(C)OC(C)C1C
InChIInChI=1S/C19H31NO/c1-6-12-20-19(17-10-8-16(7-2)9-11-17)18-13(3)14(4)21-15(18)5/h8-11,13-15,18-20H,6-7,12H2,1-5H3
InChIKeyYEWHUIQXZGCQKZ-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-3-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 79721558
(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65160020
N-[(4-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]ethanamine
CID 65156773
N-[(5-fluoro-2-methylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 115851998
N-[(4-ethylphenyl)-(2-methylcyclopropyl)methyl]propan-1-amine
CID 43496613
N-[(3-bromothiophen-2-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 80536036
N-[(2,5-dimethylfuran-3-yl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 65156694
N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine
CID 43496590
N-[pyrazin-2-yl-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine
CID 115860548
1-(3-ethylphenyl)-N-methyl-1-(2,4,5-trimethyloxolan-3-yl)methanamine
CID 105018466
3-phenyl-N-propyl-1-(2,4,5-trimethyloxolan-3-yl)propan-1-amine
CID 115794268
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine (CID 65156334) is N-[(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine is CCCNC(c1ccc(CC)cc1)C1C(C)OC(C)C1C.
What is the InChIKey of N-[(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is YEWHUIQXZGCQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-12-20-19(17-10-8-16(7-2)9-11-17)18-13(3)14(4)21-15(18)5/h8-11,13-15,18-20H,6-7,12H2,1-5H3.
What are the key properties of N-[(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine?
N-[(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)-(2,4,5-trimethyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 65156334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).