5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine

C18H30ClNO — CID 83938866

IUPAC5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine
SMILESCCOc1c(C(C)C)cc(Cl)cc1C(CC)CCC(C)N
InChIInChI=1S/C18H30ClNO/c1-6-14(9-8-13(5)20)17-11-15(19)10-16(12(3)4)18(17)21-7-2/h10-14H,6-9,20H2,1-5H3
InChIKeyOYBPCPHOJMSYTM-UHFFFAOYSA-N
MW311.90 g/mol
LogP5.48
Rot. Bonds8

About 5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine

5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine (PubChem CID 83938866) has the molecular formula C18H30ClNO and a molecular weight of 311.90 g/mol. Its IUPAC name is 5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine.

Molecular Properties

Compound Name5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine
PubChem CID83938866
Molecular FormulaC18H30ClNO
Molecular Weight311.90 g/mol
Exact Mass311.20
IUPAC Name5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine
SMILESCCOc1c(C(C)C)cc(Cl)cc1C(CC)CCC(C)N
InChIInChI=1S/C18H30ClNO/c1-6-14(9-8-13(5)20)17-11-15(19)10-16(12(3)4)18(17)21-7-2/h10-14H,6-9,20H2,1-5H3
InChIKeyOYBPCPHOJMSYTM-UHFFFAOYSA-N
XLogP5.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.90
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-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

1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine
CID 82265941
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-one
CID 83938826
2-[2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)butyl]propane-1,3-diamine
CID 83938825
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol
CID 82265954
4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol
CID 83938916
2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol
CID 83938830
4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-amine
CID 83938867
2-amino-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-(methylamino)butan-1-ol
CID 83938839
4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentanenitrile
CID 83938868
2-[3-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)butan-2-yl]propane-1,3-diamine
CID 83938859
5-(2,3,4-triethoxyphenyl)heptan-2-amine
CID 83934242
5-chloro-2-ethoxy-1-pent-4-yn-2-yl-3-propan-2-ylbenzene
CID 83938841

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine?
The IUPAC name of 5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine (CID 83938866) is 5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine.
What is the SMILES notation for 5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine?
The canonical SMILES for 5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine is CCOc1c(C(C)C)cc(Cl)cc1C(CC)CCC(C)N.
What is the InChIKey of 5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine?
The InChIKey is OYBPCPHOJMSYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClNO/c1-6-14(9-8-13(5)20)17-11-15(19)10-16(12(3)4)18(17)21-7-2/h10-14H,6-9,20H2,1-5H3.
What are the key properties of 5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine?
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine has a molecular weight of 311.90 g/mol, XLogP of 5.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine is sourced from PubChem (CID 83938866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).