N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine

C13H20BrNO — CID 29224796

IUPACN-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
SMILESCCCOc1ccc(Br)cc1CNC(C)C
InChIInChI=1S/C13H20BrNO/c1-4-7-16-13-6-5-12(14)8-11(13)9-15-10(2)3/h5-6,8,10,15H,4,7,9H2,1-3H3
InChIKeyWXCBANAEUZHIRQ-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.74
Rot. Bonds6

About N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine

N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine (PubChem CID 29224796) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
PubChem CID29224796
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC NameN-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
SMILESCCCOc1ccc(Br)cc1CNC(C)C
InChIInChI=1S/C13H20BrNO/c1-4-7-16-13-6-5-12(14)8-11(13)9-15-10(2)3/h5-6,8,10,15H,4,7,9H2,1-3H3
InChIKeyWXCBANAEUZHIRQ-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine
CID 63453722
N-[[5-bromo-2-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
CID 54935872
N-[(5-bromo-2-propoxyphenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65047756
N-[(5-bromo-2-propoxyphenyl)methyl]hexan-2-amine
CID 63479004
N-[[5-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-2-amine
CID 43277624
2-[(5-bromo-2-propoxyphenyl)methylamino]propane-1,3-diol
CID 65312603
1-(5-bromo-2-propoxyphenyl)-N-(2-methylpropoxy)methanamine
CID 82712779
N-[(5-bromo-2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 2992441
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
3-[4-bromo-2-[(propan-2-ylamino)methyl]phenoxy]-N-propan-2-ylpropanamide
CID 62624298
(2R)-N-[(5-bromo-2-propoxyphenyl)methyl]-4-phenylbutan-2-amine
CID 29224851
N-[(5-bromo-2-propoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 104953291

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine (CID 29224796) is N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine is CCCOc1ccc(Br)cc1CNC(C)C.
What is the InChIKey of N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine?
The InChIKey is WXCBANAEUZHIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-4-7-16-13-6-5-12(14)8-11(13)9-15-10(2)3/h5-6,8,10,15H,4,7,9H2,1-3H3.
What are the key properties of N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine?
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine has a molecular weight of 286.21 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 29224796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).