2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol

C18H30ClNO2 — CID 83938830

IUPAC2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol
SMILESCCOc1c(C(C)C)cc(Cl)cc1C(CC)CC(CN)CO
InChIInChI=1S/C18H30ClNO2/c1-5-14(7-13(10-20)11-21)17-9-15(19)8-16(12(3)4)18(17)22-6-2/h8-9,12-14,21H,5-7,10-11,20H2,1-4H3
InChIKeyAZAOJIIAPMYHGN-UHFFFAOYSA-N
MW327.90 g/mol
LogP4.31
Rot. Bonds9

About 2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol

2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol (PubChem CID 83938830) has the molecular formula C18H30ClNO2 and a molecular weight of 327.90 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol
PubChem CID83938830
Molecular FormulaC18H30ClNO2
Molecular Weight327.90 g/mol
Exact Mass327.20
IUPAC Name2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol
SMILESCCOc1c(C(C)C)cc(Cl)cc1C(CC)CC(CN)CO
InChIInChI=1S/C18H30ClNO2/c1-5-14(7-13(10-20)11-21)17-9-15(19)8-16(12(3)4)18(17)22-6-2/h8-9,12-14,21H,5-7,10-11,20H2,1-4H3
InChIKeyAZAOJIIAPMYHGN-UHFFFAOYSA-N
XLogP4.31
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)butyl]propane-1,3-diamine
CID 83938825
4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol
CID 83938916
2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol
CID 83941192
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine
CID 83938866
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol
CID 82265954
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-one
CID 83938826
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine
CID 82265941
2-(aminomethyl)-4-(2-chloro-4,5-dimethylphenyl)hexan-1-ol
CID 83931462
2-(aminomethyl)-4-(2-ethoxy-5-ethylphenyl)hexan-1-ol
CID 83942544
2-[3-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)butan-2-yl]propane-1,3-diamine
CID 83938859
2-(aminomethyl)-4-(2,5-diethoxyphenyl)hexan-1-ol
CID 83942792
2-(aminomethyl)-4-(4-ethoxy-2,6-dimethylphenyl)hexan-1-ol
CID 83940191

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol (CID 83938830) is 2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol is CCOc1c(C(C)C)cc(Cl)cc1C(CC)CC(CN)CO.
What is the InChIKey of 2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol?
The InChIKey is AZAOJIIAPMYHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClNO2/c1-5-14(7-13(10-20)11-21)17-9-15(19)8-16(12(3)4)18(17)22-6-2/h8-9,12-14,21H,5-7,10-11,20H2,1-4H3.
What are the key properties of 2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol?
2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol has a molecular weight of 327.90 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol is sourced from PubChem (CID 83938830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).