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

C16H17Cl2NO — CID 78944066

IUPAC(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-2-15(19)11-6-3-4-9-16(11)20-10-12-13(17)7-5-8-14(12)18/h3-9,15H,2,10,19H2,1H3/t15-/m0/s1
InChIKeyFTRGGDDRWVVPTQ-HNNXBMFYSA-N
MW310.22 g/mol
LogP4.98
Rot. Bonds5

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

(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine (PubChem CID 78944066) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is (1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
PubChem CID78944066
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine
SMILESCC[C@H](N)c1ccccc1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-2-15(19)11-6-3-4-9-16(11)20-10-12-13(17)7-5-8-14(12)18/h3-9,15H,2,10,19H2,1H3/t15-/m0/s1
InChIKeyFTRGGDDRWVVPTQ-HNNXBMFYSA-N
XLogP4.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-amine
CID 78932396
1-[2-[(2,6-difluorophenyl)methoxy]phenyl]propan-1-amine
CID 114930018
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
1-[2-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-1-amine
CID 63501481
(1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine
CID 78932960
1-[2-[(2-fluorophenyl)methoxy]phenyl]propan-1-amine
CID 18071110
(1R)-1-[2-[(3-bromothiophen-2-yl)methoxy]phenyl]propan-1-amine
CID 63366322
1-[2-[(3-bromophenyl)methoxy]phenyl]propan-1-amine
CID 60879213
(1R)-1-[2-(ethoxymethoxy)phenyl]propan-1-amine
CID 65369462
(1S)-1-[2-[(5-chloro-1-methylimidazol-2-yl)methoxy]phenyl]propan-1-amine
CID 78932860
1-(2-chloro-6-ethoxyphenyl)butan-2-amine
CID 114322005
1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 60879589

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine?
The IUPAC name of (1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine (CID 78944066) is (1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine?
The canonical SMILES for (1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine is CC[C@H](N)c1ccccc1OCc1c(Cl)cccc1Cl.
What is the InChIKey of (1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine?
The InChIKey is FTRGGDDRWVVPTQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-2-15(19)11-6-3-4-9-16(11)20-10-12-13(17)7-5-8-14(12)18/h3-9,15H,2,10,19H2,1H3/t15-/m0/s1.
What are the key properties of (1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine?
(1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine has a molecular weight of 310.22 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-[(2,6-dichlorophenyl)methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 78944066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).