3-(3,4-dichlorophenoxy)-N-methylhexan-1-amine

C13H19Cl2NO — CID 69455739

IUPAC3-(3,4-dichlorophenoxy)-N-methylhexan-1-amine
SMILESCCCC(CCNC)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2NO/c1-3-4-10(7-8-16-2)17-11-5-6-12(14)13(15)9-11/h5-6,9-10,16H,3-4,7-8H2,1-2H3
InChIKeyGISOIVYXSAITDL-UHFFFAOYSA-N
MW276.21 g/mol
LogP4.15
Rot. Bonds7

About 3-(3,4-dichlorophenoxy)-N-methylhexan-1-amine

3-(3,4-dichlorophenoxy)-N-methylhexan-1-amine (PubChem CID 69455739) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is 3-(3,4-dichlorophenoxy)-N-methylhexan-1-amine.

Molecular Properties

Compound Name3-(3,4-dichlorophenoxy)-N-methylhexan-1-amine
PubChem CID69455739
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC Name3-(3,4-dichlorophenoxy)-N-methylhexan-1-amine
SMILESCCCC(CCNC)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H19Cl2NO/c1-3-4-10(7-8-16-2)17-11-5-6-12(14)13(15)9-11/h5-6,9-10,16H,3-4,7-8H2,1-2H3
InChIKeyGISOIVYXSAITDL-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride
CID 11609028
(3R)-3-(2,4-dichlorophenoxy)-N-methylhexan-1-amine;hydrochloride
CID 69456701
(3S)-3-(2-chloro-4-fluorophenoxy)-N-methylhexan-1-amine
CID 11529020
(E)-3-(3,4-dichlorophenoxy)-N-methylhex-4-en-1-amine
CID 11608777
1-chloro-4-heptan-4-yloxybenzene
CID 142490419
2-(3,4-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430309
2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83043937
2-(4-chloro-3-ethylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83045052
(3,4-dichlorophenyl) 2-methylpentanoate
CID 91695915
(3R)-3-[2-chloro-3-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine
CID 11624379
2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine
CID 82727583
N-[2-(4-chloro-3-ethylphenoxy)pentyl]cyclopropanamine
CID 83044546

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenoxy)-N-methylhexan-1-amine?
The IUPAC name of 3-(3,4-dichlorophenoxy)-N-methylhexan-1-amine (CID 69455739) is 3-(3,4-dichlorophenoxy)-N-methylhexan-1-amine.
What is the SMILES notation for 3-(3,4-dichlorophenoxy)-N-methylhexan-1-amine?
The canonical SMILES for 3-(3,4-dichlorophenoxy)-N-methylhexan-1-amine is CCCC(CCNC)Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenoxy)-N-methylhexan-1-amine?
The InChIKey is GISOIVYXSAITDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-3-4-10(7-8-16-2)17-11-5-6-12(14)13(15)9-11/h5-6,9-10,16H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(3,4-dichlorophenoxy)-N-methylhexan-1-amine?
3-(3,4-dichlorophenoxy)-N-methylhexan-1-amine has a molecular weight of 276.21 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenoxy)-N-methylhexan-1-amine is sourced from PubChem (CID 69455739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).