2-[(5-bromo-2-propoxyphenyl)methylamino]-2-ethylbutan-1-ol

C16H26BrNO2 — CID 62518917

IUPAC2-[(5-bromo-2-propoxyphenyl)methylamino]-2-ethylbutan-1-ol
SMILESCCCOc1ccc(Br)cc1CNC(CC)(CC)CO
InChIInChI=1S/C16H26BrNO2/c1-4-9-20-15-8-7-14(17)10-13(15)11-18-16(5-2,6-3)12-19/h7-8,10,18-19H,4-6,9,11-12H2,1-3H3
InChIKeyKXXGXBVPTWFAKE-UHFFFAOYSA-N
MW344.29 g/mol
LogP3.88
Rot. Bonds9

About 2-[(5-bromo-2-propoxyphenyl)methylamino]-2-ethylbutan-1-ol

2-[(5-bromo-2-propoxyphenyl)methylamino]-2-ethylbutan-1-ol (PubChem CID 62518917) has the molecular formula C16H26BrNO2 and a molecular weight of 344.29 g/mol. Its IUPAC name is 2-[(5-bromo-2-propoxyphenyl)methylamino]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[(5-bromo-2-propoxyphenyl)methylamino]-2-ethylbutan-1-ol
PubChem CID62518917
Molecular FormulaC16H26BrNO2
Molecular Weight344.29 g/mol
Exact Mass343.11
IUPAC Name2-[(5-bromo-2-propoxyphenyl)methylamino]-2-ethylbutan-1-ol
SMILESCCCOc1ccc(Br)cc1CNC(CC)(CC)CO
InChIInChI=1S/C16H26BrNO2/c1-4-9-20-15-8-7-14(17)10-13(15)11-18-16(5-2,6-3)12-19/h7-8,10,18-19H,4-6,9,11-12H2,1-3H3
InChIKeyKXXGXBVPTWFAKE-UHFFFAOYSA-N
XLogP3.88
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
2-[(5-bromo-2-propoxyphenyl)methylamino]propane-1,3-diol
CID 65312603
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
[1-[(5-bromo-2-propoxyphenyl)methylamino]cyclohexyl]methanol
CID 62520098
N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylpentan-3-amine
CID 63453722
6-[4-bromo-2-[(tert-butylamino)methyl]phenoxy]hexan-1-ol
CID 107702576
2-bromo-N-[(5-bromo-2-propoxyphenyl)methyl]prop-2-en-1-amine
CID 115614925
N-[(5-bromo-2-propoxyphenyl)methyl]-2-(2-methylprop-2-enoxy)ethanamine
CID 114465957
N-[[5-bromo-2-(3-ethoxypropoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 65176131
N-[(5-bromo-2-propoxyphenyl)methyl]-4-methylaniline
CID 43765740
1-(5-bromo-2-propoxyphenyl)-N-(2-methylpropoxy)methanamine
CID 82712779
N-[(5-bromo-2-propoxyphenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 113466393

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-propoxyphenyl)methylamino]-2-ethylbutan-1-ol?
The IUPAC name of 2-[(5-bromo-2-propoxyphenyl)methylamino]-2-ethylbutan-1-ol (CID 62518917) is 2-[(5-bromo-2-propoxyphenyl)methylamino]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[(5-bromo-2-propoxyphenyl)methylamino]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[(5-bromo-2-propoxyphenyl)methylamino]-2-ethylbutan-1-ol is CCCOc1ccc(Br)cc1CNC(CC)(CC)CO.
What is the InChIKey of 2-[(5-bromo-2-propoxyphenyl)methylamino]-2-ethylbutan-1-ol?
The InChIKey is KXXGXBVPTWFAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNO2/c1-4-9-20-15-8-7-14(17)10-13(15)11-18-16(5-2,6-3)12-19/h7-8,10,18-19H,4-6,9,11-12H2,1-3H3.
What are the key properties of 2-[(5-bromo-2-propoxyphenyl)methylamino]-2-ethylbutan-1-ol?
2-[(5-bromo-2-propoxyphenyl)methylamino]-2-ethylbutan-1-ol has a molecular weight of 344.29 g/mol, XLogP of 3.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-propoxyphenyl)methylamino]-2-ethylbutan-1-ol is sourced from PubChem (CID 62518917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).