(2R)-1-[(2,6-dichlorophenyl)methoxy]propan-2-amine

C10H13Cl2NO — CID 97057932

IUPAC(2R)-1-[(2,6-dichlorophenyl)methoxy]propan-2-amine
SMILESC[C@@H](N)COCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2NO/c1-7(13)5-14-6-8-9(11)3-2-4-10(8)12/h2-4,7H,5-6,13H2,1H3/t7-/m1/s1
InChIKeyITDMYLZXZAMSME-SSDOTTSWSA-N
MW234.13 g/mol
LogP2.86
Rot. Bonds4

About (2R)-1-[(2,6-dichlorophenyl)methoxy]propan-2-amine

(2R)-1-[(2,6-dichlorophenyl)methoxy]propan-2-amine (PubChem CID 97057932) has the molecular formula C10H13Cl2NO and a molecular weight of 234.13 g/mol. Its IUPAC name is (2R)-1-[(2,6-dichlorophenyl)methoxy]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[(2,6-dichlorophenyl)methoxy]propan-2-amine
PubChem CID97057932
Molecular FormulaC10H13Cl2NO
Molecular Weight234.13 g/mol
Exact Mass233.04
IUPAC Name(2R)-1-[(2,6-dichlorophenyl)methoxy]propan-2-amine
SMILESC[C@@H](N)COCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2NO/c1-7(13)5-14-6-8-9(11)3-2-4-10(8)12/h2-4,7H,5-6,13H2,1H3/t7-/m1/s1
InChIKeyITDMYLZXZAMSME-SSDOTTSWSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.13
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-3-fluoro-2-(2-methylbutoxymethyl)benzene
CID 91718297
1-[(2,4-dichlorophenyl)methoxy]propan-2-amine
CID 82475739
1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
CID 114321739
(2S)-1-(2-chlorophenoxy)propan-2-amine
CID 42221597
2-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]ethanamine
CID 82352768
(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
CID 78944066
1,3-dichloro-2-[2-(3,3,4-trimethylpentoxy)ethoxymethyl]benzene
CID 90905849
N-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]methanamine
CID 170043449
6-[2-[(2,6-dichlorophenyl)methoxy]ethoxy]-2-methylhexanal
CID 141399860
(2R)-1-[6-chloro-5-[(2,6-dichlorophenyl)methoxy]-2-pyridinyl]propan-2-amine
CID 59077089
3-chloro-2-(2-ethylhexoxymethyl)aniline
CID 63747486
2-[(2,6-dichlorophenyl)methoxy]propanal
CID 71342510

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2,6-dichlorophenyl)methoxy]propan-2-amine?
The IUPAC name of (2R)-1-[(2,6-dichlorophenyl)methoxy]propan-2-amine (CID 97057932) is (2R)-1-[(2,6-dichlorophenyl)methoxy]propan-2-amine.
What is the SMILES notation for (2R)-1-[(2,6-dichlorophenyl)methoxy]propan-2-amine?
The canonical SMILES for (2R)-1-[(2,6-dichlorophenyl)methoxy]propan-2-amine is C[C@@H](N)COCc1c(Cl)cccc1Cl.
What is the InChIKey of (2R)-1-[(2,6-dichlorophenyl)methoxy]propan-2-amine?
The InChIKey is ITDMYLZXZAMSME-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13Cl2NO/c1-7(13)5-14-6-8-9(11)3-2-4-10(8)12/h2-4,7H,5-6,13H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-1-[(2,6-dichlorophenyl)methoxy]propan-2-amine?
(2R)-1-[(2,6-dichlorophenyl)methoxy]propan-2-amine has a molecular weight of 234.13 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2,6-dichlorophenyl)methoxy]propan-2-amine is sourced from PubChem (CID 97057932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).