2-heptoxy-1-naphthalen-1-ylethanamine

C19H27NO — CID 43127496

IUPAC2-heptoxy-1-naphthalen-1-ylethanamine
SMILESCCCCCCCOCC(N)c1cccc2ccccc12
InChIInChI=1S/C19H27NO/c1-2-3-4-5-8-14-21-15-19(20)18-13-9-11-16-10-6-7-12-17(16)18/h6-7,9-13,19H,2-5,8,14-15,20H2,1H3
InChIKeyVAAZRCCNJGLSHI-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.83
Rot. Bonds9

About 2-heptoxy-1-naphthalen-1-ylethanamine

2-heptoxy-1-naphthalen-1-ylethanamine (PubChem CID 43127496) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-heptoxy-1-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name2-heptoxy-1-naphthalen-1-ylethanamine
PubChem CID43127496
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name2-heptoxy-1-naphthalen-1-ylethanamine
SMILESCCCCCCCOCC(N)c1cccc2ccccc12
InChIInChI=1S/C19H27NO/c1-2-3-4-5-8-14-21-15-19(20)18-13-9-11-16-10-6-7-12-17(16)18/h6-7,9-13,19H,2-5,8,14-15,20H2,1H3
InChIKeyVAAZRCCNJGLSHI-UHFFFAOYSA-N
XLogP4.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenyl)-2-octoxyethanamine
CID 43127875
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
1-naphthalen-1-yl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82781742
1-naphthalen-1-yl-2-(2-propan-2-yloxyethoxy)ethanamine
CID 43184047
2-pentoxy-1-phenylethanamine
CID 43275081
2-(3-methoxy-3-methylbutoxy)-1-naphthalen-1-ylethanamine
CID 106665394
1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887
N'-methyl-1-naphthalen-1-yl-N'-pentylethane-1,2-diamine
CID 43294791
1-(hexoxymethyl)naphthalene
CID 18427527

Frequently Asked Questions

What is the IUPAC name of 2-heptoxy-1-naphthalen-1-ylethanamine?
The IUPAC name of 2-heptoxy-1-naphthalen-1-ylethanamine (CID 43127496) is 2-heptoxy-1-naphthalen-1-ylethanamine.
What is the SMILES notation for 2-heptoxy-1-naphthalen-1-ylethanamine?
The canonical SMILES for 2-heptoxy-1-naphthalen-1-ylethanamine is CCCCCCCOCC(N)c1cccc2ccccc12.
What is the InChIKey of 2-heptoxy-1-naphthalen-1-ylethanamine?
The InChIKey is VAAZRCCNJGLSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-2-3-4-5-8-14-21-15-19(20)18-13-9-11-16-10-6-7-12-17(16)18/h6-7,9-13,19H,2-5,8,14-15,20H2,1H3.
What are the key properties of 2-heptoxy-1-naphthalen-1-ylethanamine?
2-heptoxy-1-naphthalen-1-ylethanamine has a molecular weight of 285.43 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptoxy-1-naphthalen-1-ylethanamine is sourced from PubChem (CID 43127496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).