N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine;oxalic acid

C19H22BrNO5 — CID 2949268

IUPACN-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine;oxalic acid
SMILESBrc1c(OCCNC2CCCC2)ccc2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C17H20BrNO.C2H2O4/c18-17-15-8-4-1-5-13(15)9-10-16(17)20-12-11-19-14-6-2-3-7-14;3-1(4)2(5)6/h1,4-5,8-10,14,19H,2-3,6-7,11-12H2;(H,3,4)(H,5,6)
InChIKeyHPPNQOFKZOSMSO-UHFFFAOYSA-N
MW424.29 g/mol
LogP3.67
Rot. Bonds5

About N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine;oxalic acid

N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine;oxalic acid (PubChem CID 2949268) has the molecular formula C19H22BrNO5 and a molecular weight of 424.29 g/mol. Its IUPAC name is N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine;oxalic acid.

Molecular Properties

Compound NameN-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine;oxalic acid
PubChem CID2949268
Molecular FormulaC19H22BrNO5
Molecular Weight424.29 g/mol
Exact Mass423.07
IUPAC NameN-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine;oxalic acid
SMILESBrc1c(OCCNC2CCCC2)ccc2ccccc12.O=C(O)C(=O)O
InChIInChI=1S/C17H20BrNO.C2H2O4/c18-17-15-8-4-1-5-13(15)9-10-16(17)20-12-11-19-14-6-2-3-7-14;3-1(4)2(5)6/h1,4-5,8-10,14,19H,2-3,6-7,11-12H2;(H,3,4)(H,5,6)
InChIKeyHPPNQOFKZOSMSO-UHFFFAOYSA-N
XLogP3.67
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.29
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1-bromonaphthalen-2-yl)oxy-N-butylbutan-1-amine;oxalic acid
CID 2923347
2-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamoyl]cyclohexane-1-carboxylic acid
CID 3307862
1-(1-bromonaphthalen-2-yl)oxy-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 66335499
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-bromophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 133196412
N-[1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidin-4-yl]benzamide
CID 37025023
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-bromophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 133175489
2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(4-fluorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133249082
N-[2-(2,6-dibromophenoxy)ethyl]cyclopentanamine
CID 62599325
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
N-[2-(1-bromonaphthalen-2-yl)oxyethyl]-3-methylbutan-2-amine
CID 63517046
2-(1-bromonaphthalen-2-yl)oxy-1-(3-methylpiperidin-1-yl)ethanone
CID 42990322
N-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine
CID 63505937

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine;oxalic acid?
The IUPAC name of N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine;oxalic acid (CID 2949268) is N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine;oxalic acid.
What is the SMILES notation for N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine;oxalic acid?
The canonical SMILES for N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine;oxalic acid is Brc1c(OCCNC2CCCC2)ccc2ccccc12.O=C(O)C(=O)O.
What is the InChIKey of N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine;oxalic acid?
The InChIKey is HPPNQOFKZOSMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO.C2H2O4/c18-17-15-8-4-1-5-13(15)9-10-16(17)20-12-11-19-14-6-2-3-7-14;3-1(4)2(5)6/h1,4-5,8-10,14,19H,2-3,6-7,11-12H2;(H,3,4)(H,5,6).
What are the key properties of N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine;oxalic acid?
N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine;oxalic acid has a molecular weight of 424.29 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine;oxalic acid is sourced from PubChem (CID 2949268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).