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

C18H23NO — CID 105350533

IUPAC2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine
SMILESCCc1ccc(OCc2ccc(C(C)CN)cc2)cc1
InChIInChI=1S/C18H23NO/c1-3-15-6-10-18(11-7-15)20-13-16-4-8-17(9-5-16)14(2)12-19/h4-11,14H,3,12-13,19H2,1-2H3
InChIKeyNFQWNSSQOKKHLV-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.89
Rot. Bonds6

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

2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine (PubChem CID 105350533) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine
PubChem CID105350533
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine
SMILESCCc1ccc(OCc2ccc(C(C)CN)cc2)cc1
InChIInChI=1S/C18H23NO/c1-3-15-6-10-18(11-7-15)20-13-16-4-8-17(9-5-16)14(2)12-19/h4-11,14H,3,12-13,19H2,1-2H3
InChIKeyNFQWNSSQOKKHLV-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine
CID 105350465
2-[4-[(4-methylphenoxy)methyl]phenyl]propan-1-amine
CID 105350241
1-butan-2-yl-4-[(4-ethylphenyl)methoxy]benzene
CID 107669037
(1R)-1-[4-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 63367548
1-ethyl-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 59709478
1-ethyl-4-[[4-(propan-2-yloxymethyl)phenoxy]methyl]benzene
CID 142493435
2-[4-[(3-fluorophenoxy)methyl]phenyl]propan-1-amine
CID 105350731
2-[4-(1,3-benzodioxol-5-yloxymethyl)phenyl]propan-1-amine
CID 105350223
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
2-[4-[(4-propan-2-ylphenoxy)methyl]phenyl]ethanamine
CID 105350512

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine?
The IUPAC name of 2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine (CID 105350533) is 2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine.
What is the SMILES notation for 2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine?
The canonical SMILES for 2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine is CCc1ccc(OCc2ccc(C(C)CN)cc2)cc1.
What is the InChIKey of 2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine?
The InChIKey is NFQWNSSQOKKHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-3-15-6-10-18(11-7-15)20-13-16-4-8-17(9-5-16)14(2)12-19/h4-11,14H,3,12-13,19H2,1-2H3.
What are the key properties of 2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine?
2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethylphenoxy)methyl]phenyl]propan-1-amine is sourced from PubChem (CID 105350533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).