N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methoxypropan-1-amine

C16H20BrNO2 — CID 2060270

IUPACN-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methoxypropan-1-amine
SMILESCOCCCNCCOc1ccc2ccccc2c1Br
InChIInChI=1S/C16H20BrNO2/c1-19-11-4-9-18-10-12-20-15-8-7-13-5-2-3-6-14(13)16(15)17/h2-3,5-8,18H,4,9-12H2,1H3
InChIKeyGSJWGCDVVCKFOY-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.61
Rot. Bonds8

About N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methoxypropan-1-amine

N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methoxypropan-1-amine (PubChem CID 2060270) has the molecular formula C16H20BrNO2 and a molecular weight of 338.24 g/mol. Its IUPAC name is N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methoxypropan-1-amine.

Molecular Properties

Compound NameN-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methoxypropan-1-amine
PubChem CID2060270
Molecular FormulaC16H20BrNO2
Molecular Weight338.24 g/mol
Exact Mass337.07
IUPAC NameN-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methoxypropan-1-amine
SMILESCOCCCNCCOc1ccc2ccccc2c1Br
InChIInChI=1S/C16H20BrNO2/c1-19-11-4-9-18-10-12-20-15-8-7-13-5-2-3-6-14(13)16(15)17/h2-3,5-8,18H,4,9-12H2,1H3
InChIKeyGSJWGCDVVCKFOY-UHFFFAOYSA-N
XLogP3.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methoxypropan-1-amine?
The IUPAC name of N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methoxypropan-1-amine (CID 2060270) is N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methoxypropan-1-amine.
What is the SMILES notation for N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methoxypropan-1-amine?
The canonical SMILES for N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methoxypropan-1-amine is COCCCNCCOc1ccc2ccccc2c1Br.
What is the InChIKey of N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methoxypropan-1-amine?
The InChIKey is GSJWGCDVVCKFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c1-19-11-4-9-18-10-12-20-15-8-7-13-5-2-3-6-14(13)16(15)17/h2-3,5-8,18H,4,9-12H2,1H3.
What are the key properties of N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methoxypropan-1-amine?
N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methoxypropan-1-amine has a molecular weight of 338.24 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methoxypropan-1-amine is sourced from PubChem (CID 2060270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).