N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylmethoxy)propan-1-amine

C18H29NO2 — CID 62383540

IUPACN-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylmethoxy)propan-1-amine
SMILESCCNC(c1ccc(C)cc1)C(C)OCC1CCOCC1
InChIInChI=1S/C18H29NO2/c1-4-19-18(17-7-5-14(2)6-8-17)15(3)21-13-16-9-11-20-12-10-16/h5-8,15-16,18-19H,4,9-13H2,1-3H3
InChIKeyYUZJVBMFFIVLDC-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.48
Rot. Bonds7

About N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylmethoxy)propan-1-amine

N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylmethoxy)propan-1-amine (PubChem CID 62383540) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylmethoxy)propan-1-amine
PubChem CID62383540
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylmethoxy)propan-1-amine
SMILESCCNC(c1ccc(C)cc1)C(C)OCC1CCOCC1
InChIInChI=1S/C18H29NO2/c1-4-19-18(17-7-5-14(2)6-8-17)15(3)21-13-16-9-11-20-12-10-16/h5-8,15-16,18-19H,4,9-13H2,1-3H3
InChIKeyYUZJVBMFFIVLDC-UHFFFAOYSA-N
XLogP3.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclohexylmethoxy)-N-ethyl-1-phenylpropan-1-amine
CID 62383534
2-cyclopropyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 83154579
N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine
CID 43489330
2-(oxan-4-ylmethoxy)-1-phenylpropan-1-ol
CID 62383931
N-ethyl-1-(4-methylphenyl)-2-(oxetan-3-ylsulfanyl)propan-1-amine
CID 79333225
2-(cyclopentylmethoxy)-1-(4-methylphenyl)propan-1-ol
CID 66322023
3-(oxan-4-ylmethoxy)butan-2-amine
CID 62382238
N-[2-(3-methylphenyl)-2-(oxan-4-ylmethoxy)ethyl]propan-2-amine
CID 62383877
2-(cyclohexylmethoxy)-1-(4-methylphenyl)propan-1-ol
CID 62383408
N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfanyl)ethanamine
CID 64626571
N-ethyl-2-(2-methyloxolan-3-yl)sulfanyl-1-(4-methylphenyl)propan-1-amine
CID 107762569
4-[2-methyl-1-(4-methylphenyl)propyl]oxane
CID 170430270

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylmethoxy)propan-1-amine?
The IUPAC name of N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylmethoxy)propan-1-amine (CID 62383540) is N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylmethoxy)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylmethoxy)propan-1-amine?
The canonical SMILES for N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylmethoxy)propan-1-amine is CCNC(c1ccc(C)cc1)C(C)OCC1CCOCC1.
What is the InChIKey of N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylmethoxy)propan-1-amine?
The InChIKey is YUZJVBMFFIVLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-19-18(17-7-5-14(2)6-8-17)15(3)21-13-16-9-11-20-12-10-16/h5-8,15-16,18-19H,4,9-13H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylmethoxy)propan-1-amine?
N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylmethoxy)propan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylmethoxy)propan-1-amine is sourced from PubChem (CID 62383540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).