N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine

C14H22BrNO — CID 60688736

IUPACN-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C14H22BrNO/c1-4-6-9-16(5-2)11-12-7-8-14(17-3)13(15)10-12/h7-8,10H,4-6,9,11H2,1-3H3
InChIKeyVGVDFCWBQWGWEP-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.08
Rot. Bonds7

About N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine

N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine (PubChem CID 60688736) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine
PubChem CID60688736
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine
SMILESCCCCN(CC)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C14H22BrNO/c1-4-6-9-16(5-2)11-12-7-8-14(17-3)13(15)10-12/h7-8,10H,4-6,9,11H2,1-3H3
InChIKeyVGVDFCWBQWGWEP-UHFFFAOYSA-N
XLogP4.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-methoxyphenyl)methyl]-N-(2-chloroethyl)butan-1-amine
CID 63389227
2-[(3-bromo-4-methoxyphenyl)methyl-butylamino]acetamide
CID 54942215
N-[(3-bromo-4-fluorophenyl)methyl]-N-ethylbutan-1-amine
CID 55220419
N'-[(3-bromo-4-methoxyphenyl)methyl]-N'-[(4-chlorophenyl)methyl]propane-1,3-diamine
CID 23995882
N-(2-bromoethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 80672187
N'-ethyl-N'-[(3-fluoro-4-methoxyphenyl)methyl]propane-1,3-diamine
CID 43154838
4-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methoxyphenol
CID 102999096
5-[[3-(dimethylamino)propyl-ethylamino]methyl]-2-methoxybenzoic acid
CID 102998109
N'-[(3-bromo-4-fluorophenyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102996193
3-[(3-bromo-4-methoxyphenyl)methyl-ethylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910383
N-[(3,4-dimethoxyphenyl)methyl]-N-(2-phenylethyl)butan-1-amine
CID 141000405
3-(3-bromo-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865219

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine (CID 60688736) is N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine is CCCCN(CC)Cc1ccc(OC)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine?
The InChIKey is VGVDFCWBQWGWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-4-6-9-16(5-2)11-12-7-8-14(17-3)13(15)10-12/h7-8,10H,4-6,9,11H2,1-3H3.
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine?
N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)methyl]-N-ethylbutan-1-amine is sourced from PubChem (CID 60688736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).