2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine

C18H23NO2 — CID 105350465

IUPAC2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine
SMILESCCOc1ccc(OCc2ccc(C(C)CN)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-3-20-17-8-10-18(11-9-17)21-13-15-4-6-16(7-5-15)14(2)12-19/h4-11,14H,3,12-13,19H2,1-2H3
InChIKeyMUNKJWSXNRMHHM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.73
Rot. Bonds7

About 2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine

2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine (PubChem CID 105350465) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine
PubChem CID105350465
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine
SMILESCCOc1ccc(OCc2ccc(C(C)CN)cc2)cc1
InChIInChI=1S/C18H23NO2/c1-3-20-17-8-10-18(11-9-17)21-13-15-4-6-16(7-5-15)14(2)12-19/h4-11,14H,3,12-13,19H2,1-2H3
InChIKeyMUNKJWSXNRMHHM-UHFFFAOYSA-N
XLogP3.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine
CID 105350533
2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine
CID 105350241
[4-[(4-ethoxyphenoxy)methyl]phenyl]methanamine
CID 16787344
1-butan-2-yl-4-[(4-ethylphenyl)methoxy]benzene
CID 107669037
2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine
CID 105350731
2-[4-(1,3-benzodioxol-5-yloxymethyl)phenyl]propan-1-amine
CID 105350223
(1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 63367548
1-butan-2-yl-4-(phenoxymethyl)benzene
CID 59819141
2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine
CID 105351322
3-[[4-(1-aminopropan-2-yl)phenyl]methoxy]-N,N-dimethylaniline
CID 105350828
1-ethyl-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 59709478
2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350512

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine?
The IUPAC name of 2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine (CID 105350465) is 2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine.
What is the SMILES notation for 2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine?
The canonical SMILES for 2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine is CCOc1ccc(OCc2ccc(C(C)CN)cc2)cc1.
What is the InChIKey of 2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine?
The InChIKey is MUNKJWSXNRMHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-20-17-8-10-18(11-9-17)21-13-15-4-6-16(7-5-15)14(2)12-19/h4-11,14H,3,12-13,19H2,1-2H3.
What are the key properties of 2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine?
2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine is sourced from PubChem (CID 105350465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).