N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine

C15H21Br2NO — CID 107411813

IUPACN-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
SMILESCOc1c(Br)cc(CNCC2CCC(C)C2)cc1Br
InChIInChI=1S/C15H21Br2NO/c1-10-3-4-11(5-10)8-18-9-12-6-13(16)15(19-2)14(17)7-12/h6-7,10-11,18H,3-5,8-9H2,1-2H3
InChIKeyYWPMBXIBDDQGAO-UHFFFAOYSA-N
MW391.15 g/mol
LogP4.75
Rot. Bonds5

About N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine

N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine (PubChem CID 107411813) has the molecular formula C15H21Br2NO and a molecular weight of 391.15 g/mol. Its IUPAC name is N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
PubChem CID107411813
Molecular FormulaC15H21Br2NO
Molecular Weight391.15 g/mol
Exact Mass389.00
IUPAC NameN-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
SMILESCOc1c(Br)cc(CNCC2CCC(C)C2)cc1Br
InChIInChI=1S/C15H21Br2NO/c1-10-3-4-11(5-10)8-18-9-12-6-13(16)15(19-2)14(17)7-12/h6-7,10-11,18H,3-5,8-9H2,1-2H3
InChIKeyYWPMBXIBDDQGAO-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.15
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63464064
1-cyclobutyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine
CID 43775196
3-[[(3-bromo-4,5-dimethoxyphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270665
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 63463735
2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107411940
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855920
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 61207553
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352809
1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride
CID 115592095
N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412103
N-[(4-bromo-3-chlorophenyl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 114076532
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(thian-2-yl)methanamine
CID 80600848

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine?
The IUPAC name of N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine (CID 107411813) is N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine?
The canonical SMILES for N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine is COc1c(Br)cc(CNCC2CCC(C)C2)cc1Br.
What is the InChIKey of N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine?
The InChIKey is YWPMBXIBDDQGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NO/c1-10-3-4-11(5-10)8-18-9-12-6-13(16)15(19-2)14(17)7-12/h6-7,10-11,18H,3-5,8-9H2,1-2H3.
What are the key properties of N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine?
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine has a molecular weight of 391.15 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 107411813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).