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

C14H21Cl2NO — CID 83941338

IUPAC4-(3,5-dichloro-2-propoxyphenyl)pentan-1-amine
SMILESCCCOc1c(Cl)cc(Cl)cc1C(C)CCCN
InChIInChI=1S/C14H21Cl2NO/c1-3-7-18-14-12(10(2)5-4-6-17)8-11(15)9-13(14)16/h8-10H,3-7,17H2,1-2H3
InChIKeyOFHIFXVBFRISSA-UHFFFAOYSA-N
MW290.23 g/mol
LogP4.62
Rot. Bonds7

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

4-(3,5-dichloro-2-propoxyphenyl)pentan-1-amine (PubChem CID 83941338) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 4-(3,5-dichloro-2-propoxyphenyl)pentan-1-amine.

Molecular Properties

Compound Name4-(3,5-dichloro-2-propoxyphenyl)pentan-1-amine
PubChem CID83941338
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name4-(3,5-dichloro-2-propoxyphenyl)pentan-1-amine
SMILESCCCOc1c(Cl)cc(Cl)cc1C(C)CCCN
InChIInChI=1S/C14H21Cl2NO/c1-3-7-18-14-12(10(2)5-4-6-17)8-11(15)9-13(14)16/h8-10H,3-7,17H2,1-2H3
InChIKeyOFHIFXVBFRISSA-UHFFFAOYSA-N
XLogP4.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-dichloro-2-propoxyphenyl)heptan-1-amine
CID 83941299
1-(3,5-dichloro-2-propoxyphenyl)ethanamine
CID 82267105
4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-amine
CID 83938867
1,5-dichloro-3-(4-chlorobutan-2-yl)-2-ethoxybenzene
CID 83941177
2-[2-(3,5-dichloro-2-propoxyphenyl)propyl]-3-ethyloxirane
CID 83941372
3-(2,4,6-trichlorophenoxy)propan-1-amine
CID 10060902
4-[2-(3,5-dichloro-2-propoxyphenyl)propyl]-2H-triazole
CID 112719483
4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol
CID 83941378
1,5-dichloro-3-ethoxy-2-propoxybenzene
CID 125116590
6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine
CID 83941333
2-(aminomethyl)-4-(3,5-dichloro-2-ethoxyphenyl)pentan-1-ol
CID 83941192
3,5-dichloro-2-propoxyphenol
CID 82267104

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-2-propoxyphenyl)pentan-1-amine?
The IUPAC name of 4-(3,5-dichloro-2-propoxyphenyl)pentan-1-amine (CID 83941338) is 4-(3,5-dichloro-2-propoxyphenyl)pentan-1-amine.
What is the SMILES notation for 4-(3,5-dichloro-2-propoxyphenyl)pentan-1-amine?
The canonical SMILES for 4-(3,5-dichloro-2-propoxyphenyl)pentan-1-amine is CCCOc1c(Cl)cc(Cl)cc1C(C)CCCN.
What is the InChIKey of 4-(3,5-dichloro-2-propoxyphenyl)pentan-1-amine?
The InChIKey is OFHIFXVBFRISSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2NO/c1-3-7-18-14-12(10(2)5-4-6-17)8-11(15)9-13(14)16/h8-10H,3-7,17H2,1-2H3.
What are the key properties of 4-(3,5-dichloro-2-propoxyphenyl)pentan-1-amine?
4-(3,5-dichloro-2-propoxyphenyl)pentan-1-amine has a molecular weight of 290.23 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-2-propoxyphenyl)pentan-1-amine is sourced from PubChem (CID 83941338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).