1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine

C18H25NO — CID 82927028

IUPAC1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine
SMILESCCC(CC)COc1c(C(C)N)ccc2ccccc12
InChIInChI=1S/C18H25NO/c1-4-14(5-2)12-20-18-16(13(3)19)11-10-15-8-6-7-9-17(15)18/h6-11,13-14H,4-5,12,19H2,1-3H3
InChIKeyGJEAQICVXBPHGP-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.67
Rot. Bonds6

About 1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine

1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine (PubChem CID 82927028) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine
PubChem CID82927028
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine
SMILESCCC(CC)COc1c(C(C)N)ccc2ccccc12
InChIInChI=1S/C18H25NO/c1-4-14(5-2)12-20-18-16(13(3)19)11-10-15-8-6-7-9-17(15)18/h6-11,13-14H,4-5,12,19H2,1-3H3
InChIKeyGJEAQICVXBPHGP-UHFFFAOYSA-N
XLogP4.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol
CID 104881475
1-[1-(2-ethylbutoxy)naphthalen-2-yl]-N-methylethanamine
CID 82926079
(1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine
CID 63368514
1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol
CID 63928570
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol
CID 78954047
(1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine
CID 104863269
(1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine
CID 63368402
(1R)-1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethanamine
CID 78937490
(1R)-1-(1-but-3-enoxynaphthalen-2-yl)ethanamine
CID 78967478
1-(1-but-3-ynoxynaphthalen-2-yl)ethanamine
CID 60889205
(1R)-1-[1-(2-methylbutoxy)naphthalen-2-yl]ethanol
CID 63365584
2-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylacetamide
CID 63368477

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine?
The IUPAC name of 1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine (CID 82927028) is 1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine?
The canonical SMILES for 1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine is CCC(CC)COc1c(C(C)N)ccc2ccccc12.
What is the InChIKey of 1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine?
The InChIKey is GJEAQICVXBPHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-4-14(5-2)12-20-18-16(13(3)19)11-10-15-8-6-7-9-17(15)18/h6-11,13-14H,4-5,12,19H2,1-3H3.
What are the key properties of 1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine?
1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine has a molecular weight of 271.40 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine is sourced from PubChem (CID 82927028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).