2-[(2-bromo-5-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-1-amine

C16H26BrNO — CID 65327017

IUPAC2-[(2-bromo-5-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-1-amine
SMILESCCNCC(Cc1cc(OC)ccc1Br)CC(C)C
InChIInChI=1S/C16H26BrNO/c1-5-18-11-13(8-12(2)3)9-14-10-15(19-4)6-7-16(14)17/h6-7,10,12-13,18H,5,8-9,11H2,1-4H3
InChIKeyIOYAQMCXVBHQJT-UHFFFAOYSA-N
MW328.29 g/mol
LogP4.27
Rot. Bonds8

About 2-[(2-bromo-5-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-1-amine

2-[(2-bromo-5-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-1-amine (PubChem CID 65327017) has the molecular formula C16H26BrNO and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-[(2-bromo-5-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(2-bromo-5-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-1-amine
PubChem CID65327017
Molecular FormulaC16H26BrNO
Molecular Weight328.29 g/mol
Exact Mass327.12
IUPAC Name2-[(2-bromo-5-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-1-amine
SMILESCCNCC(Cc1cc(OC)ccc1Br)CC(C)C
InChIInChI=1S/C16H26BrNO/c1-5-18-11-13(8-12(2)3)9-14-10-15(19-4)6-7-16(14)17/h6-7,10,12-13,18H,5,8-9,11H2,1-4H3
InChIKeyIOYAQMCXVBHQJT-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-5-methoxyphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 65326628
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
2-[(2-bromophenyl)methyl]-N-ethyl-4-methoxypentan-1-amine
CID 113382947
3-(2-bromo-5-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65327170
1-(2-bromo-5-methoxyphenyl)-N,4-dimethylhexan-2-amine
CID 115862236
1-bromo-2-(4-chloro-2-methylpentyl)-4-methoxybenzene
CID 65326063
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 65325556
1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
1-bromo-2-(3-chloro-2-methylbutyl)-4-methoxybenzene
CID 65326952
4-(2-bromo-5-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65326200
1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine
CID 79412793

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-1-amine?
The IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-1-amine (CID 65327017) is 2-[(2-bromo-5-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-1-amine.
What is the SMILES notation for 2-[(2-bromo-5-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-1-amine?
The canonical SMILES for 2-[(2-bromo-5-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-1-amine is CCNCC(Cc1cc(OC)ccc1Br)CC(C)C.
What is the InChIKey of 2-[(2-bromo-5-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-1-amine?
The InChIKey is IOYAQMCXVBHQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO/c1-5-18-11-13(8-12(2)3)9-14-10-15(19-4)6-7-16(14)17/h6-7,10,12-13,18H,5,8-9,11H2,1-4H3.
What are the key properties of 2-[(2-bromo-5-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-1-amine?
2-[(2-bromo-5-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-1-amine has a molecular weight of 328.29 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-1-amine is sourced from PubChem (CID 65327017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).