N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine

C14H22BrNO — CID 54971591

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)Cc1cc(Br)ccc1OC
InChIInChI=1S/C14H22BrNO/c1-5-11(2)9-16(3)10-12-8-13(15)6-7-14(12)17-4/h6-8,11H,5,9-10H2,1-4H3
InChIKeyOANZZESFDUBTLQ-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.94
Rot. Bonds6

About N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine

N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine (PubChem CID 54971591) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine
PubChem CID54971591
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)Cc1cc(Br)ccc1OC
InChIInChI=1S/C14H22BrNO/c1-5-11(2)9-16(3)10-12-8-13(15)6-7-14(12)17-4/h6-8,11H,5,9-10H2,1-4H3
InChIKeyOANZZESFDUBTLQ-UHFFFAOYSA-N
XLogP3.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-2-ethyl-N,N'-dimethylpropane-1,3-diamine
CID 115255077
N-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79483242
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-1-cyclopropylethanol
CID 111858724
4-bromo-2-[(5-bromo-2-methoxyphenyl)methyl]-1-[(2S)-2-methylbutoxy]benzene
CID 139605000
1-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-(4-ethoxyphenoxy)propan-2-ol
CID 46798100
N-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107870844
3-N-[(5-bromo-2-methoxyphenyl)methyl]-3-N-methylbutane-1,3-diamine
CID 117040347
N-[(3-bromophenyl)methyl]-N,2-dimethylbutan-1-amine
CID 55136782
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-3-methylbutan-1-ol
CID 115137594
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-methylbutyl)acetamide
CID 8810478
N-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine
CID 55026913
2-N-[(5-bromo-2-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944908

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine (CID 54971591) is N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine is CCC(C)CN(C)Cc1cc(Br)ccc1OC.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine?
The InChIKey is OANZZESFDUBTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-5-11(2)9-16(3)10-12-8-13(15)6-7-14(12)17-4/h6-8,11H,5,9-10H2,1-4H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine?
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 54971591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).