1-[6-(4-propan-2-yloxyphenoxy)naphthalen-2-yl]ethanamine

C21H23NO2 — CID 91533455

IUPAC1-[6-(4-propan-2-yloxyphenoxy)naphthalen-2-yl]ethanamine
SMILESCC(C)Oc1ccc(Oc2ccc3cc(C(C)N)ccc3c2)cc1
InChIInChI=1S/C21H23NO2/c1-14(2)23-19-8-10-20(11-9-19)24-21-7-6-17-12-16(15(3)22)4-5-18(17)13-21/h4-15H,22H2,1-3H3
InChIKeyMPXBDNPCYKQSHG-UHFFFAOYSA-N
MW321.42 g/mol
LogP5.44
Rot. Bonds5

About 1-[6-(4-propan-2-yloxyphenoxy)naphthalen-2-yl]ethanamine

1-[6-(4-propan-2-yloxyphenoxy)naphthalen-2-yl]ethanamine (PubChem CID 91533455) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[6-(4-propan-2-yloxyphenoxy)naphthalen-2-yl]ethanamine.

Molecular Properties

Compound Name1-[6-(4-propan-2-yloxyphenoxy)naphthalen-2-yl]ethanamine
PubChem CID91533455
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name1-[6-(4-propan-2-yloxyphenoxy)naphthalen-2-yl]ethanamine
SMILESCC(C)Oc1ccc(Oc2ccc3cc(C(C)N)ccc3c2)cc1
InChIInChI=1S/C21H23NO2/c1-14(2)23-19-8-10-20(11-9-19)24-21-7-6-17-12-16(15(3)22)4-5-18(17)13-21/h4-15H,22H2,1-3H3
InChIKeyMPXBDNPCYKQSHG-UHFFFAOYSA-N
XLogP5.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
1-propan-2-yl-4-(4-propan-2-yloxyphenoxy)benzene
CID 126761972
1-[3-(4-methoxyphenoxy)phenyl]ethanamine
CID 79016052
1-naphthalen-2-ylethanamine
CID 3857145
1-[4-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 43109127
bromo-(4-propan-2-yloxyphenyl)methanamine
CID 116947610
(1R)-1-[4-(3,5-dimethoxyphenoxy)phenyl]ethanamine
CID 78938156
1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine
CID 63532726
(1R)-1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 29276487
1-[4-(3-propan-2-ylphenoxy)phenyl]ethanamine
CID 43102412
(1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine
CID 28973362
(4-propan-2-yloxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 43120932

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-propan-2-yloxyphenoxy)naphthalen-2-yl]ethanamine?
The IUPAC name of 1-[6-(4-propan-2-yloxyphenoxy)naphthalen-2-yl]ethanamine (CID 91533455) is 1-[6-(4-propan-2-yloxyphenoxy)naphthalen-2-yl]ethanamine.
What is the SMILES notation for 1-[6-(4-propan-2-yloxyphenoxy)naphthalen-2-yl]ethanamine?
The canonical SMILES for 1-[6-(4-propan-2-yloxyphenoxy)naphthalen-2-yl]ethanamine is CC(C)Oc1ccc(Oc2ccc3cc(C(C)N)ccc3c2)cc1.
What is the InChIKey of 1-[6-(4-propan-2-yloxyphenoxy)naphthalen-2-yl]ethanamine?
The InChIKey is MPXBDNPCYKQSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO2/c1-14(2)23-19-8-10-20(11-9-19)24-21-7-6-17-12-16(15(3)22)4-5-18(17)13-21/h4-15H,22H2,1-3H3.
What are the key properties of 1-[6-(4-propan-2-yloxyphenoxy)naphthalen-2-yl]ethanamine?
1-[6-(4-propan-2-yloxyphenoxy)naphthalen-2-yl]ethanamine has a molecular weight of 321.42 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-propan-2-yloxyphenoxy)naphthalen-2-yl]ethanamine is sourced from PubChem (CID 91533455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).