N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine

C16H24BrNO2 — CID 976640

IUPACN-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine
SMILESCOc1cc(CNC(C)C)c(Br)cc1OC1CCCC1
InChIInChI=1S/C16H24BrNO2/c1-11(2)18-10-12-8-15(19-3)16(9-14(12)17)20-13-6-4-5-7-13/h8-9,11,13,18H,4-7,10H2,1-3H3
InChIKeyNJIPGYWUMQPJEH-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.28
Rot. Bonds6

About N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine

N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine (PubChem CID 976640) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine
PubChem CID976640
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC NameN-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine
SMILESCOc1cc(CNC(C)C)c(Br)cc1OC1CCCC1
InChIInChI=1S/C16H24BrNO2/c1-11(2)18-10-12-8-15(19-3)16(9-14(12)17)20-13-6-4-5-7-13/h8-9,11,13,18H,4-7,10H2,1-3H3
InChIKeyNJIPGYWUMQPJEH-UHFFFAOYSA-N
XLogP4.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)methanamine
CID 117460840
2-(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)acetonitrile
CID 117494859
3-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine
CID 117499889
2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]butan-1-ol
CID 2990058
2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 2990057
2-(2-bromo-5-cyclobutyloxy-4-methoxyphenyl)propan-1-amine
CID 117499903
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43775679
N-[(2-cyclopentyloxy-5-methylphenyl)methyl]propan-2-amine
CID 55204170
2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 79254885
N-[(2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 82927515
cis-(1R,2S)-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-2-methylcyclohexan-1-amine
CID 743571
3-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-3-cyclopropylpropan-1-ol
CID 111457490

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine (CID 976640) is N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine is COc1cc(CNC(C)C)c(Br)cc1OC1CCCC1.
What is the InChIKey of N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine?
The InChIKey is NJIPGYWUMQPJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-11(2)18-10-12-8-15(19-3)16(9-14(12)17)20-13-6-4-5-7-13/h8-9,11,13,18H,4-7,10H2,1-3H3.
What are the key properties of N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine?
N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine has a molecular weight of 342.28 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 976640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).