2-[(3-bromophenyl)methoxy]-N-tert-butylpentan-1-amine

C16H26BrNO — CID 83047496

IUPAC2-[(3-bromophenyl)methoxy]-N-tert-butylpentan-1-amine
SMILESCCCC(CNC(C)(C)C)OCc1cccc(Br)c1
InChIInChI=1S/C16H26BrNO/c1-5-7-15(11-18-16(2,3)4)19-12-13-8-6-9-14(17)10-13/h6,8-10,15,18H,5,7,11-12H2,1-4H3
InChIKeyQEEQSJARSKNNSO-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.52
Rot. Bonds7

About 2-[(3-bromophenyl)methoxy]-N-tert-butylpentan-1-amine

2-[(3-bromophenyl)methoxy]-N-tert-butylpentan-1-amine (PubChem CID 83047496) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxy]-N-tert-butylpentan-1-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxy]-N-tert-butylpentan-1-amine
PubChem CID83047496
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name2-[(3-bromophenyl)methoxy]-N-tert-butylpentan-1-amine
SMILESCCCC(CNC(C)(C)C)OCc1cccc(Br)c1
InChIInChI=1S/C16H26BrNO/c1-5-7-15(11-18-16(2,3)4)19-12-13-8-6-9-14(17)10-13/h6,8-10,15,18H,5,7,11-12H2,1-4H3
InChIKeyQEEQSJARSKNNSO-UHFFFAOYSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromophenyl)methyl]-N-tert-butylpentan-1-amine
CID 63496756
2-benzyl-3-(3-bromophenyl)-N-tert-butylpropan-1-amine
CID 63496194
2-(tert-butylamino)-1-[3-(1,3-dihexadecoxypropan-2-yloxymethyl)phenyl]ethanol;hydrochloride
CID 23466090
N-tert-butyl-2-phenoxypentan-1-amine
CID 83043967
N-tert-butyl-2-(3-iodophenoxy)pentan-1-amine
CID 83044883
4-(3-bromophenyl)-N-tert-butyl-3,3-dimethylbutan-1-amine
CID 81032768
N-[2-[(3-bromophenyl)methoxy]-3-methoxypropyl]cyclopropanamine
CID 103228977
(3-bromophenyl)methyl 2-aminopentanoate
CID 82824771
ethyl 2-[(3-bromophenyl)methoxy]propanoate
CID 82827861
2-(2-bromo-4-methylphenoxy)-N-tert-butylpentan-1-amine
CID 83043988
1-bromo-3-(propoxymethyl)benzene
CID 57057286
2-methyl-N-(3-naphthalen-2-yloxy-2-phenylmethoxypropyl)propan-2-amine;hydrochloride
CID 20517335

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxy]-N-tert-butylpentan-1-amine?
The IUPAC name of 2-[(3-bromophenyl)methoxy]-N-tert-butylpentan-1-amine (CID 83047496) is 2-[(3-bromophenyl)methoxy]-N-tert-butylpentan-1-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methoxy]-N-tert-butylpentan-1-amine?
The canonical SMILES for 2-[(3-bromophenyl)methoxy]-N-tert-butylpentan-1-amine is CCCC(CNC(C)(C)C)OCc1cccc(Br)c1.
What is the InChIKey of 2-[(3-bromophenyl)methoxy]-N-tert-butylpentan-1-amine?
The InChIKey is QEEQSJARSKNNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-5-7-15(11-18-16(2,3)4)19-12-13-8-6-9-14(17)10-13/h6,8-10,15,18H,5,7,11-12H2,1-4H3.
What are the key properties of 2-[(3-bromophenyl)methoxy]-N-tert-butylpentan-1-amine?
2-[(3-bromophenyl)methoxy]-N-tert-butylpentan-1-amine has a molecular weight of 328.29 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxy]-N-tert-butylpentan-1-amine is sourced from PubChem (CID 83047496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).