2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol

C15H24ClNO3 — CID 66532485

IUPAC2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol
SMILESCCOc1cc(Cl)c(CNC(CC)CO)cc1OCC
InChIInChI=1S/C15H24ClNO3/c1-4-12(10-18)17-9-11-7-14(19-5-2)15(20-6-3)8-13(11)16/h7-8,12,17-18H,4-6,9-10H2,1-3H3
InChIKeyFMVFPFUYWOHUEB-UHFFFAOYSA-N
MW301.81 g/mol
LogP3.00
Rot. Bonds9

About 2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol

2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol (PubChem CID 66532485) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol
PubChem CID66532485
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol
SMILESCCOc1cc(Cl)c(CNC(CC)CO)cc1OCC
InChIInChI=1S/C15H24ClNO3/c1-4-12(10-18)17-9-11-7-14(19-5-2)15(20-6-3)8-13(11)16/h7-8,12,17-18H,4-6,9-10H2,1-3H3
InChIKeyFMVFPFUYWOHUEB-UHFFFAOYSA-N
XLogP3.00
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]butan-1-ol
CID 66530649
2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]butan-1-ol
CID 4717389
2-[(3-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol
CID 4717396
N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine
CID 66532430
2-[[2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]butan-1-ol
CID 66530031
(2S)-2-[(3,4-diethoxyphenyl)methylamino]butan-1-ol
CID 40726397
2-[(3,4-diethoxyphenyl)methylamino]butan-1-ol
CID 4722284
N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 66532416
(2R)-2-[(2,5-dichlorophenyl)methylamino]butan-1-ol
CID 96919096
2-[(3,4-diethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 17292093

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol?
The IUPAC name of 2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol (CID 66532485) is 2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol.
What is the SMILES notation for 2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol?
The canonical SMILES for 2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol is CCOc1cc(Cl)c(CNC(CC)CO)cc1OCC.
What is the InChIKey of 2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol?
The InChIKey is FMVFPFUYWOHUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3/c1-4-12(10-18)17-9-11-7-14(19-5-2)15(20-6-3)8-13(11)16/h7-8,12,17-18H,4-6,9-10H2,1-3H3.
What are the key properties of 2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol?
2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol has a molecular weight of 301.81 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol is sourced from PubChem (CID 66532485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).