N-benzyl-10-(6-bromonaphthalen-2-yl)oxydecan-1-amine;hydrochloride

C27H35BrClNO — CID 10229043

IUPACN-benzyl-10-(6-bromonaphthalen-2-yl)oxydecan-1-amine;hydrochloride
SMILESBrc1ccc2cc(OCCCCCCCCCCNCc3ccccc3)ccc2c1.Cl
InChIInChI=1S/C27H34BrNO.ClH/c28-26-16-14-25-21-27(17-15-24(25)20-26)30-19-11-6-4-2-1-3-5-10-18-29-22-23-12-8-7-9-13-23;/h7-9,12-17,20-21,29H,1-6,10-11,18-19,22H2;1H
InChIKeyPVOXMYQVLDBDSC-UHFFFAOYSA-N
MW504.94 g/mol
LogP8.31
Rot. Bonds14

About N-benzyl-10-(6-bromonaphthalen-2-yl)oxydecan-1-amine;hydrochloride

N-benzyl-10-(6-bromonaphthalen-2-yl)oxydecan-1-amine;hydrochloride (PubChem CID 10229043) has the molecular formula C27H35BrClNO and a molecular weight of 504.94 g/mol. Its IUPAC name is N-benzyl-10-(6-bromonaphthalen-2-yl)oxydecan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-10-(6-bromonaphthalen-2-yl)oxydecan-1-amine;hydrochloride
PubChem CID10229043
Molecular FormulaC27H35BrClNO
Molecular Weight504.94 g/mol
Exact Mass503.16
IUPAC NameN-benzyl-10-(6-bromonaphthalen-2-yl)oxydecan-1-amine;hydrochloride
SMILESBrc1ccc2cc(OCCCCCCCCCCNCc3ccccc3)ccc2c1.Cl
InChIInChI=1S/C27H34BrNO.ClH/c28-26-16-14-25-21-27(17-15-24(25)20-26)30-19-11-6-4-2-1-3-5-10-18-29-22-23-12-8-7-9-13-23;/h7-9,12-17,20-21,29H,1-6,10-11,18-19,22H2;1H
InChIKeyPVOXMYQVLDBDSC-UHFFFAOYSA-N
XLogP8.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.94
LogP ≤ 58.31
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

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CID 2183434
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CID 10133895
6-(6-bromonaphthalen-2-yl)oxy-N-methylhexan-1-amine
CID 10133896
4-naphthalen-2-yloxy-N-(2-phenylethyl)butan-1-amine
CID 10064569
2-bromo-6-phenylmethoxynaphthalene
CID 640595
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
2-bromo-6-(4-bromobutoxy)naphthalene
CID 43165163
N-benzyl-4-[3-(trifluoromethyl)phenoxy]butan-1-amine
CID 18176646
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N-[(3-pentoxyphenyl)methyl]hexadecan-1-amine
CID 54847860
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CID 57123635

Frequently Asked Questions

What is the IUPAC name of N-benzyl-10-(6-bromonaphthalen-2-yl)oxydecan-1-amine;hydrochloride?
The IUPAC name of N-benzyl-10-(6-bromonaphthalen-2-yl)oxydecan-1-amine;hydrochloride (CID 10229043) is N-benzyl-10-(6-bromonaphthalen-2-yl)oxydecan-1-amine;hydrochloride.
What is the SMILES notation for N-benzyl-10-(6-bromonaphthalen-2-yl)oxydecan-1-amine;hydrochloride?
The canonical SMILES for N-benzyl-10-(6-bromonaphthalen-2-yl)oxydecan-1-amine;hydrochloride is Brc1ccc2cc(OCCCCCCCCCCNCc3ccccc3)ccc2c1.Cl.
What is the InChIKey of N-benzyl-10-(6-bromonaphthalen-2-yl)oxydecan-1-amine;hydrochloride?
The InChIKey is PVOXMYQVLDBDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34BrNO.ClH/c28-26-16-14-25-21-27(17-15-24(25)20-26)30-19-11-6-4-2-1-3-5-10-18-29-22-23-12-8-7-9-13-23;/h7-9,12-17,20-21,29H,1-6,10-11,18-19,22H2;1H.
What are the key properties of N-benzyl-10-(6-bromonaphthalen-2-yl)oxydecan-1-amine;hydrochloride?
N-benzyl-10-(6-bromonaphthalen-2-yl)oxydecan-1-amine;hydrochloride has a molecular weight of 504.94 g/mol, XLogP of 8.31, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-10-(6-bromonaphthalen-2-yl)oxydecan-1-amine;hydrochloride is sourced from PubChem (CID 10229043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).