2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]butan-1-ol

C18H28BrNO3 — CID 2990058

IUPAC2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]butan-1-ol
SMILESCCOc1cc(CNC(CC)CO)c(Br)cc1OC1CCCC1
InChIInChI=1S/C18H28BrNO3/c1-3-14(12-21)20-11-13-9-17(22-4-2)18(10-16(13)19)23-15-7-5-6-8-15/h9-10,14-15,20-21H,3-8,11-12H2,1-2H3
InChIKeyHOZJBPYXIRRXEK-UHFFFAOYSA-N
MW386.33 g/mol
LogP4.03
Rot. Bonds9

About 2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]butan-1-ol

2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]butan-1-ol (PubChem CID 2990058) has the molecular formula C18H28BrNO3 and a molecular weight of 386.33 g/mol. Its IUPAC name is 2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]butan-1-ol
PubChem CID2990058
Molecular FormulaC18H28BrNO3
Molecular Weight386.33 g/mol
Exact Mass385.13
IUPAC Name2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]butan-1-ol
SMILESCCOc1cc(CNC(CC)CO)c(Br)cc1OC1CCCC1
InChIInChI=1S/C18H28BrNO3/c1-3-14(12-21)20-11-13-9-17(22-4-2)18(10-16(13)19)23-15-7-5-6-8-15/h9-10,14-15,20-21H,3-8,11-12H2,1-2H3
InChIKeyHOZJBPYXIRRXEK-UHFFFAOYSA-N
XLogP4.03
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 2990057
2-[[2-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 66533020
(2R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]butan-1-ol
CID 51675513
N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine
CID 976640
1-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386277
2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol
CID 66532485
N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]cyclopentanamine
CID 66525622
2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol
CID 66532313
2-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 2959836
(2S)-2-[(3,4-diethoxyphenyl)methylamino]butan-1-ol
CID 40726397
2-[(3,4-diethoxyphenyl)methylamino]butan-1-ol
CID 4722284
2-[(2-bromo-5-ethoxy-4-methoxyphenyl)methylamino]propanoic acid
CID 66534018

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]butan-1-ol?
The IUPAC name of 2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]butan-1-ol (CID 2990058) is 2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]butan-1-ol.
What is the SMILES notation for 2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]butan-1-ol?
The canonical SMILES for 2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]butan-1-ol is CCOc1cc(CNC(CC)CO)c(Br)cc1OC1CCCC1.
What is the InChIKey of 2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]butan-1-ol?
The InChIKey is HOZJBPYXIRRXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO3/c1-3-14(12-21)20-11-13-9-17(22-4-2)18(10-16(13)19)23-15-7-5-6-8-15/h9-10,14-15,20-21H,3-8,11-12H2,1-2H3.
What are the key properties of 2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]butan-1-ol?
2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]butan-1-ol has a molecular weight of 386.33 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 2990058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).