N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine

C16H26ClNO2 — CID 66532416

IUPACN-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine
SMILESCCOc1cc(CNC(C)CC)c(Cl)cc1OC(C)C
InChIInChI=1S/C16H26ClNO2/c1-6-12(5)18-10-13-8-15(19-7-2)16(9-14(13)17)20-11(3)4/h8-9,11-12,18H,6-7,10H2,1-5H3
InChIKeyZPIZUHNROISLAR-UHFFFAOYSA-N
MW299.84 g/mol
LogP4.41
Rot. Bonds8

About N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine

N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine (PubChem CID 66532416) has the molecular formula C16H26ClNO2 and a molecular weight of 299.84 g/mol. Its IUPAC name is N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine
PubChem CID66532416
Molecular FormulaC16H26ClNO2
Molecular Weight299.84 g/mol
Exact Mass299.17
IUPAC NameN-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine
SMILESCCOc1cc(CNC(C)CC)c(Cl)cc1OC(C)C
InChIInChI=1S/C16H26ClNO2/c1-6-12(5)18-10-13-8-15(19-7-2)16(9-14(13)17)20-11(3)4/h8-9,11-12,18H,6-7,10H2,1-5H3
InChIKeyZPIZUHNROISLAR-UHFFFAOYSA-N
XLogP4.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.84
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine 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

N-[(2-chloro-5-ethoxy-4-methoxyphenyl)methyl]butan-2-amine
CID 66532430
2-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 2959836
N-[[2-chloro-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]butan-2-amine
CID 66531772
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]butan-2-amine
CID 54855338
N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66542157
N-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]butan-2-amine
CID 66530974
N'-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 66538110
N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 50973420
2-[3-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]propylamino]ethanol
CID 66537972
5-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]pentan-1-ol
CID 66532393
2-[(2-chloro-4,5-diethoxyphenyl)methylamino]butan-1-ol
CID 66532485
(2R)-N-[(5-chloro-2-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 51990119

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine?
The IUPAC name of N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine (CID 66532416) is N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine.
What is the SMILES notation for N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine?
The canonical SMILES for N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine is CCOc1cc(CNC(C)CC)c(Cl)cc1OC(C)C.
What is the InChIKey of N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine?
The InChIKey is ZPIZUHNROISLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO2/c1-6-12(5)18-10-13-8-15(19-7-2)16(9-14(13)17)20-11(3)4/h8-9,11-12,18H,6-7,10H2,1-5H3.
What are the key properties of N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine?
N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine has a molecular weight of 299.84 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine is sourced from PubChem (CID 66532416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).