(3R)-3-(2,4-dichlorophenoxy)-N-methylhexan-1-amine;hydrochloride

C13H20Cl3NO — CID 69456701

IUPAC(3R)-3-(2,4-dichlorophenoxy)-N-methylhexan-1-amine;hydrochloride
SMILESCCC[C@H](CCNC)Oc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C13H19Cl2NO.ClH/c1-3-4-11(7-8-16-2)17-13-6-5-10(14)9-12(13)15;/h5-6,9,11,16H,3-4,7-8H2,1-2H3;1H/t11-;/m1./s1
InChIKeyGBRAATYCHQMGPG-RFVHGSKJSA-N
MW312.67 g/mol
LogP4.57
Rot. Bonds7

About (3R)-3-(2,4-dichlorophenoxy)-N-methylhexan-1-amine;hydrochloride

(3R)-3-(2,4-dichlorophenoxy)-N-methylhexan-1-amine;hydrochloride (PubChem CID 69456701) has the molecular formula C13H20Cl3NO and a molecular weight of 312.67 g/mol. Its IUPAC name is (3R)-3-(2,4-dichlorophenoxy)-N-methylhexan-1-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(2,4-dichlorophenoxy)-N-methylhexan-1-amine;hydrochloride
PubChem CID69456701
Molecular FormulaC13H20Cl3NO
Molecular Weight312.67 g/mol
Exact Mass311.06
IUPAC Name(3R)-3-(2,4-dichlorophenoxy)-N-methylhexan-1-amine;hydrochloride
SMILESCCC[C@H](CCNC)Oc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C13H19Cl2NO.ClH/c1-3-4-11(7-8-16-2)17-13-6-5-10(14)9-12(13)15;/h5-6,9,11,16H,3-4,7-8H2,1-2H3;1H/t11-;/m1./s1
InChIKeyGBRAATYCHQMGPG-RFVHGSKJSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.67
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(2-chloro-4-fluorophenoxy)-N-methylhexan-1-amine
CID 11529020
3-(3,4-dichlorophenoxy)-N-methylhexan-1-amine
CID 69455739
3-(2,4-dichlorophenoxy)-N-methyl-4-morpholin-4-ylbutan-1-amine
CID 69453911
2,4-dichloro-1-(1-chlorohexan-2-yloxy)benzene
CID 70463022
(3R)-3-[2-chloro-3-(trifluoromethyl)phenoxy]-N-methylhexan-1-amine
CID 11624379
1-chloro-4-heptan-4-yloxybenzene
CID 142490419
N-tert-butyl-2-(2,4-dichlorophenoxy)butan-1-amine
CID 63497352
(2S)-2-(2,4-dichlorophenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 2169643
1-(2,4-dichlorophenoxy)propan-1-ol
CID 3017057
(3R)-N-methyl-3-naphthalen-2-yloxyhexan-1-amine;hydrochloride
CID 11609028
(3S)-N-methyl-3-[2-(trifluoromethyl)phenoxy]hexan-1-amine
CID 11565843
3-(2,4-dichlorophenoxy)pentane-1-sulfonic acid
CID 88683157

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,4-dichlorophenoxy)-N-methylhexan-1-amine;hydrochloride?
The IUPAC name of (3R)-3-(2,4-dichlorophenoxy)-N-methylhexan-1-amine;hydrochloride (CID 69456701) is (3R)-3-(2,4-dichlorophenoxy)-N-methylhexan-1-amine;hydrochloride.
What is the SMILES notation for (3R)-3-(2,4-dichlorophenoxy)-N-methylhexan-1-amine;hydrochloride?
The canonical SMILES for (3R)-3-(2,4-dichlorophenoxy)-N-methylhexan-1-amine;hydrochloride is CCC[C@H](CCNC)Oc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of (3R)-3-(2,4-dichlorophenoxy)-N-methylhexan-1-amine;hydrochloride?
The InChIKey is GBRAATYCHQMGPG-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H19Cl2NO.ClH/c1-3-4-11(7-8-16-2)17-13-6-5-10(14)9-12(13)15;/h5-6,9,11,16H,3-4,7-8H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of (3R)-3-(2,4-dichlorophenoxy)-N-methylhexan-1-amine;hydrochloride?
(3R)-3-(2,4-dichlorophenoxy)-N-methylhexan-1-amine;hydrochloride has a molecular weight of 312.67 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,4-dichlorophenoxy)-N-methylhexan-1-amine;hydrochloride is sourced from PubChem (CID 69456701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).