2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol

C16H26ClNO3 — CID 66532313

IUPAC2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol
SMILESCCCOc1cc(Cl)c(CNC(CC)CO)cc1OCC
InChIInChI=1S/C16H26ClNO3/c1-4-7-21-16-9-14(17)12(8-15(16)20-6-3)10-18-13(5-2)11-19/h8-9,13,18-19H,4-7,10-11H2,1-3H3
InChIKeyOMOOCTLUJQHWMR-UHFFFAOYSA-N
MW315.84 g/mol
LogP3.39
Rot. Bonds10

About 2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol

2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol (PubChem CID 66532313) has the molecular formula C16H26ClNO3 and a molecular weight of 315.84 g/mol. Its IUPAC name is 2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol
PubChem CID66532313
Molecular FormulaC16H26ClNO3
Molecular Weight315.84 g/mol
Exact Mass315.16
IUPAC Name2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol
SMILESCCCOc1cc(Cl)c(CNC(CC)CO)cc1OCC
InChIInChI=1S/C16H26ClNO3/c1-4-7-21-16-9-14(17)12(8-15(16)20-6-3)10-18-13(5-2)11-19/h8-9,13,18-19H,4-7,10-11H2,1-3H3
InChIKeyOMOOCTLUJQHWMR-UHFFFAOYSA-N
XLogP3.39
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol
CID 66532485
2-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 2959836
2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol
CID 66530649
2-[2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]ethoxy]ethanol
CID 66532270
(2R)-2-[(3,5-dichloro-2-propoxyphenyl)methylamino]butan-1-ol
CID 29225195
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine
CID 66530974
2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]acetic acid
CID 66532195
2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol
CID 4717389
N-[(2-chloro-5-ethoxy-4-propoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine
CID 66532227
2-[(3-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol
CID 4717396
N-[(2-chloro-5-ethoxy-4-propoxyphenyl)methyl]cycloheptanamine
CID 66532216
N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine
CID 66532430

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol?
The IUPAC name of 2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol (CID 66532313) is 2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol.
What is the SMILES notation for 2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol?
The canonical SMILES for 2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol is CCCOc1cc(Cl)c(CNC(CC)CO)cc1OCC.
What is the InChIKey of 2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol?
The InChIKey is OMOOCTLUJQHWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO3/c1-4-7-21-16-9-14(17)12(8-15(16)20-6-3)10-18-13(5-2)11-19/h8-9,13,18-19H,4-7,10-11H2,1-3H3.
What are the key properties of 2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol?
2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol has a molecular weight of 315.84 g/mol, XLogP of 3.39, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-ethoxy-4-propoxyphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 66532313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).