3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine

C17H17ClF3NO — CID 170867877

IUPAC3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine
SMILESNCCCc1cc(Cl)ccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17ClF3NO/c18-15-6-7-16(13(10-15)4-2-8-22)23-11-12-3-1-5-14(9-12)17(19,20)21/h1,3,5-7,9-10H,2,4,8,11,22H2
InChIKeyXIPAGBARMVWSAH-UHFFFAOYSA-N
MW343.78 g/mol
LogP4.83
Rot. Bonds6

About 3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine

3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine (PubChem CID 170867877) has the molecular formula C17H17ClF3NO and a molecular weight of 343.78 g/mol. Its IUPAC name is 3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine
PubChem CID170867877
Molecular FormulaC17H17ClF3NO
Molecular Weight343.78 g/mol
Exact Mass343.10
IUPAC Name3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine
SMILESNCCCc1cc(Cl)ccc1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17ClF3NO/c18-15-6-7-16(13(10-15)4-2-8-22)23-11-12-3-1-5-14(9-12)17(19,20)21/h1,3,5-7,9-10H,2,4,8,11,22H2
InChIKeyXIPAGBARMVWSAH-UHFFFAOYSA-N
XLogP4.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.78
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]propan-1-amine
CID 170867838
3-[2-[(3-chlorophenyl)methoxy]phenyl]propan-1-amine
CID 170878755
[2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 43147467
[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 61389023
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]propan-1-amine;hydrochloride
CID 139814631
2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 25235984
2-(chloromethyl)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 63535402
3-[5-chloro-2-[(3-fluorophenyl)methoxy]phenyl]-N,N-dimethylpropan-1-amine
CID 170866415
3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]azetidine
CID 58405050
1-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627169
2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 102132722
[3-fluoro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 115952103

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine?
The IUPAC name of 3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine (CID 170867877) is 3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine.
What is the SMILES notation for 3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine?
The canonical SMILES for 3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine is NCCCc1cc(Cl)ccc1OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine?
The InChIKey is XIPAGBARMVWSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3NO/c18-15-6-7-16(13(10-15)4-2-8-22)23-11-12-3-1-5-14(9-12)17(19,20)21/h1,3,5-7,9-10H,2,4,8,11,22H2.
What are the key properties of 3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine?
3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine has a molecular weight of 343.78 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-amine is sourced from PubChem (CID 170867877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).