1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine

C17H27NO3 — CID 60908110

IUPAC1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine
SMILESCCOc1cc(CC(C)N)ccc1OCC1CCCCO1
InChIInChI=1S/C17H27NO3/c1-3-19-17-11-14(10-13(2)18)7-8-16(17)21-12-15-6-4-5-9-20-15/h7-8,11,13,15H,3-6,9-10,12,18H2,1-2H3
InChIKeyQWXNQENXRVYCBG-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.92
Rot. Bonds7

About 1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine

1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine (PubChem CID 60908110) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine
PubChem CID60908110
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine
SMILESCCOc1cc(CC(C)N)ccc1OCC1CCCCO1
InChIInChI=1S/C17H27NO3/c1-3-19-17-11-14(10-13(2)18)7-8-16(17)21-12-15-6-4-5-9-20-15/h7-8,11,13,15H,3-6,9-10,12,18H2,1-2H3
InChIKeyQWXNQENXRVYCBG-UHFFFAOYSA-N
XLogP2.92
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine
CID 61342843
1-[4-methoxy-3-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60906922
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]butan-2-amine
CID 60906681
1-[3,5-dibromo-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine
CID 107739802
1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60906720
N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43591754
1-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60907979
1-(3-ethoxy-4-pentoxyphenyl)propan-2-amine
CID 54929069
3-ethoxy-4-(oxolan-2-ylmethoxy)benzonitrile
CID 60657015
1-[3-ethoxy-4-(3-ethoxypropoxy)phenyl]propan-2-amine
CID 65181053
1-(3-ethoxy-4-hexoxyphenyl)propan-2-amine
CID 60906663
1-[3-chloro-4-[3-(oxolan-2-yl)propoxy]phenyl]propan-2-amine
CID 65164688

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine (CID 60908110) is 1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine is CCOc1cc(CC(C)N)ccc1OCC1CCCCO1.
What is the InChIKey of 1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine?
The InChIKey is QWXNQENXRVYCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-19-17-11-14(10-13(2)18)7-8-16(17)21-12-15-6-4-5-9-20-15/h7-8,11,13,15H,3-6,9-10,12,18H2,1-2H3.
What are the key properties of 1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine?
1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine has a molecular weight of 293.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-4-(oxan-2-ylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 60908110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).