2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol

C14H21Cl2NO2 — CID 83941192

IUPAC2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol
SMILESCCOc1c(Cl)cc(Cl)cc1C(C)CC(CN)CO
InChIInChI=1S/C14H21Cl2NO2/c1-3-19-14-12(5-11(15)6-13(14)16)9(2)4-10(7-17)8-18/h5-6,9-10,18H,3-4,7-8,17H2,1-2H3
InChIKeyHPZLZNWNQKIBMK-UHFFFAOYSA-N
MW306.23 g/mol
LogP3.45
Rot. Bonds7

About 2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol

2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol (PubChem CID 83941192) has the molecular formula C14H21Cl2NO2 and a molecular weight of 306.23 g/mol. Its IUPAC name is 2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol
PubChem CID83941192
Molecular FormulaC14H21Cl2NO2
Molecular Weight306.23 g/mol
Exact Mass305.09
IUPAC Name2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol
SMILESCCOc1c(Cl)cc(Cl)cc1C(C)CC(CN)CO
InChIInChI=1S/C14H21Cl2NO2/c1-3-19-14-12(5-11(15)6-13(14)16)9(2)4-10(7-17)8-18/h5-6,9-10,18H,3-4,7-8,17H2,1-2H3
InChIKeyHPZLZNWNQKIBMK-UHFFFAOYSA-N
XLogP3.45
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,5-dichloro-2-ethoxyphenyl)hexane-2,3-diol
CID 83941281
2-(aminomethyl)-4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexan-1-ol
CID 83938830
1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene
CID 83941177
2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine
CID 83941186
2-(aminomethyl)-4-(2-ethoxy-5-methylphenyl)pentan-1-ol
CID 83933625
2-(aminomethyl)-4-(3,5-dimethyl-2-propoxyphenyl)pentan-1-ol
CID 83942169
2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine
CID 83895005
2-(aminomethyl)-4-(2,3-dichlorophenyl)pentan-1-ol
CID 83924659
2-[2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)butyl]propane-1,3-diamine
CID 83938825
2-[2-(5-chloro-2-ethoxy-4-methylphenyl)propyl]propane-1,3-diamine
CID 83937594
4-(3,5-dichloro-2-propoxyphenyl)pentan-1-amine
CID 83941338
2-[2-(3,5-dichloro-2-ethoxyphenyl)propyl]cyclopropane-1-carboxylic acid
CID 83941287

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol (CID 83941192) is 2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol is CCOc1c(Cl)cc(Cl)cc1C(C)CC(CN)CO.
What is the InChIKey of 2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol?
The InChIKey is HPZLZNWNQKIBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO2/c1-3-19-14-12(5-11(15)6-13(14)16)9(2)4-10(7-17)8-18/h5-6,9-10,18H,3-4,7-8,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol?
2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol has a molecular weight of 306.23 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol is sourced from PubChem (CID 83941192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).