4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol

C14H21Cl2NO2 — CID 83941378

IUPAC4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol
SMILESCCCOc1c(Cl)cc(Cl)cc1CCC(O)C(C)N
InChIInChI=1S/C14H21Cl2NO2/c1-3-6-19-14-10(4-5-13(18)9(2)17)7-11(15)8-12(14)16/h7-9,13,18H,3-6,17H2,1-2H3
InChIKeyBPEDOOKEADZOPV-UHFFFAOYSA-N
MW306.23 g/mol
LogP3.42
Rot. Bonds7

About 4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol

4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol (PubChem CID 83941378) has the molecular formula C14H21Cl2NO2 and a molecular weight of 306.23 g/mol. Its IUPAC name is 4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol.

Molecular Properties

Compound Name4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol
PubChem CID83941378
Molecular FormulaC14H21Cl2NO2
Molecular Weight306.23 g/mol
Exact Mass305.09
IUPAC Name4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol
SMILESCCCOc1c(Cl)cc(Cl)cc1CCC(O)C(C)N
InChIInChI=1S/C14H21Cl2NO2/c1-3-6-19-14-10(4-5-13(18)9(2)17)7-11(15)8-12(14)16/h7-9,13,18H,3-6,17H2,1-2H3
InChIKeyBPEDOOKEADZOPV-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol
CID 83941376
2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol
CID 83941330
6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine
CID 83941333
1-(3,5-dichloro-2-propoxyphenyl)ethanamine
CID 82267105
3-(3,5-dichloro-2-propoxyphenyl)propanoic acid
CID 82267091
4-(3,5-dichloro-2-propoxyphenyl)butanethioamide
CID 83941328
5-(3,5-dichloro-2-methoxyphenyl)pentane-2,3-diol
CID 83941161
2-(3,5-dichloro-2-nonoxyphenyl)ethanamine
CID 63421467
1-(3,5-dichloro-2-octoxyphenyl)propan-2-amine
CID 63421710
1-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]piperazine
CID 82267120
2-[2-(3,5-dichloro-2-ethoxyphenyl)ethyl]propane-1,3-diamine
CID 83941186
4-(3,5-dichloro-2-propoxyphenyl)pentan-1-amine
CID 83941338

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol?
The IUPAC name of 4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol (CID 83941378) is 4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol.
What is the SMILES notation for 4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol?
The canonical SMILES for 4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol is CCCOc1c(Cl)cc(Cl)cc1CCC(O)C(C)N.
What is the InChIKey of 4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol?
The InChIKey is BPEDOOKEADZOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO2/c1-3-6-19-14-10(4-5-13(18)9(2)17)7-11(15)8-12(14)16/h7-9,13,18H,3-6,17H2,1-2H3.
What are the key properties of 4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol?
4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol has a molecular weight of 306.23 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol is sourced from PubChem (CID 83941378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).