1-(1-but-3-ynoxynaphthalen-2-yl)ethanamine

C16H17NO — CID 60889205

IUPAC1-(1-but-3-ynoxynaphthalen-2-yl)ethanamine
SMILESC#CCCOc1c(C(C)N)ccc2ccccc12
InChIInChI=1S/C16H17NO/c1-3-4-11-18-16-14(12(2)17)10-9-13-7-5-6-8-15(13)16/h1,5-10,12H,4,11,17H2,2H3
InChIKeyDIKXVRKRQIURHJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.26
Rot. Bonds4

About 1-(1-but-3-ynoxynaphthalen-2-yl)ethanamine

1-(1-but-3-ynoxynaphthalen-2-yl)ethanamine (PubChem CID 60889205) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(1-but-3-ynoxynaphthalen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1-but-3-ynoxynaphthalen-2-yl)ethanamine
PubChem CID60889205
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-(1-but-3-ynoxynaphthalen-2-yl)ethanamine
SMILESC#CCCOc1c(C(C)N)ccc2ccccc12
InChIInChI=1S/C16H17NO/c1-3-4-11-18-16-14(12(2)17)10-9-13-7-5-6-8-15(13)16/h1,5-10,12H,4,11,17H2,2H3
InChIKeyDIKXVRKRQIURHJ-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-[1-(2-propan-2-yloxyethoxy)naphthalen-2-yl]ethanamine
CID 63368514
(1R)-1-(1-but-3-enoxynaphthalen-2-yl)ethanamine
CID 78967478
(1R)-1-[1-(2-ethylsulfanylethoxy)naphthalen-2-yl]ethanamine
CID 104863269
(1S)-1-[1-(2-ethylsulfonylethoxy)naphthalen-2-yl]ethanamine
CID 63368402
1-[1-(2-ethylbutoxy)naphthalen-2-yl]ethanamine
CID 82927028
(1R)-1-[1-(2-thiophen-2-ylethoxy)naphthalen-2-yl]ethanamine
CID 78950759
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-N,N-dimethylpropanamide
CID 78930722
1-[2-[(1S)-1-aminoethyl]naphthalen-1-yl]oxy-3-methoxypropan-2-ol
CID 63928570
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-2-methylpropan-1-ol
CID 104881475
(1R)-1-[1-(cyclopropylmethoxy)naphthalen-2-yl]ethanamine
CID 78937490
1-[1-[2-(oxolan-2-yl)ethoxy]naphthalen-2-yl]ethanamine
CID 65158928
3-[2-[(1R)-1-aminoethyl]naphthalen-1-yl]oxy-1,1,1-trifluoropropan-2-ol
CID 78954047

Frequently Asked Questions

What is the IUPAC name of 1-(1-but-3-ynoxynaphthalen-2-yl)ethanamine?
The IUPAC name of 1-(1-but-3-ynoxynaphthalen-2-yl)ethanamine (CID 60889205) is 1-(1-but-3-ynoxynaphthalen-2-yl)ethanamine.
What is the SMILES notation for 1-(1-but-3-ynoxynaphthalen-2-yl)ethanamine?
The canonical SMILES for 1-(1-but-3-ynoxynaphthalen-2-yl)ethanamine is C#CCCOc1c(C(C)N)ccc2ccccc12.
What is the InChIKey of 1-(1-but-3-ynoxynaphthalen-2-yl)ethanamine?
The InChIKey is DIKXVRKRQIURHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-3-4-11-18-16-14(12(2)17)10-9-13-7-5-6-8-15(13)16/h1,5-10,12H,4,11,17H2,2H3.
What are the key properties of 1-(1-but-3-ynoxynaphthalen-2-yl)ethanamine?
1-(1-but-3-ynoxynaphthalen-2-yl)ethanamine has a molecular weight of 239.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-but-3-ynoxynaphthalen-2-yl)ethanamine is sourced from PubChem (CID 60889205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).