4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-amine

C16H26ClNO — CID 83938867

IUPAC4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-amine
SMILESCCOc1c(C(C)C)cc(Cl)cc1C(C)CCCN
InChIInChI=1S/C16H26ClNO/c1-5-19-16-14(11(2)3)9-13(17)10-15(16)12(4)7-6-8-18/h9-12H,5-8,18H2,1-4H3
InChIKeyGXNRUVTYSJIRPU-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.70
Rot. Bonds7

About 4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-amine

4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-amine (PubChem CID 83938867) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-amine.

Molecular Properties

Compound Name4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-amine
PubChem CID83938867
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-amine
SMILESCCOc1c(C(C)C)cc(Cl)cc1C(C)CCCN
InChIInChI=1S/C16H26ClNO/c1-5-19-16-14(11(2)3)9-13(17)10-15(16)12(4)7-6-8-18/h9-12H,5-8,18H2,1-4H3
InChIKeyGXNRUVTYSJIRPU-UHFFFAOYSA-N
XLogP4.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-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

4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentanenitrile
CID 83938868
4-(3,5-dichloro-2-propoxyphenyl)pentan-1-amine
CID 83941338
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine
CID 82265941
5-chloro-2-ethoxy-1-pent-4-yn-2-yl-3-propan-2-ylbenzene
CID 83938841
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine
CID 83938866
2-[3-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)butan-2-yl]propane-1,3-diamine
CID 83938859
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol
CID 82265954
2-[2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)butyl]propane-1,3-diamine
CID 83938825
1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene
CID 83941177
2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol
CID 83938830
2-amino-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-(methylamino)butan-1-ol
CID 83938839
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-one
CID 83938826

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-amine?
The IUPAC name of 4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-amine (CID 83938867) is 4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-amine.
What is the SMILES notation for 4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-amine?
The canonical SMILES for 4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-amine is CCOc1c(C(C)C)cc(Cl)cc1C(C)CCCN.
What is the InChIKey of 4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-amine?
The InChIKey is GXNRUVTYSJIRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-5-19-16-14(11(2)3)9-13(17)10-15(16)12(4)7-6-8-18/h9-12H,5-8,18H2,1-4H3.
What are the key properties of 4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-amine?
4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-amine has a molecular weight of 283.84 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-amine is sourced from PubChem (CID 83938867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).