2-fluoro-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenol;hydrobromide

C19H25BrFNO — CID 45264666

IUPAC2-fluoro-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenol;hydrobromide
SMILESBr.CCCN(CCc1ccccc1)CCc1ccc(O)c(F)c1
InChIInChI=1S/C19H24FNO.BrH/c1-2-12-21(13-10-16-6-4-3-5-7-16)14-11-17-8-9-19(22)18(20)15-17;/h3-9,15,22H,2,10-14H2,1H3;1H
InChIKeyNWZVCBKYDMPOQE-UHFFFAOYSA-N
MW382.32 g/mol
LogP4.61
Rot. Bonds8

About 2-fluoro-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenol;hydrobromide

2-fluoro-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenol;hydrobromide (PubChem CID 45264666) has the molecular formula C19H25BrFNO and a molecular weight of 382.32 g/mol. Its IUPAC name is 2-fluoro-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenol;hydrobromide.

Molecular Properties

Compound Name2-fluoro-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenol;hydrobromide
PubChem CID45264666
Molecular FormulaC19H25BrFNO
Molecular Weight382.32 g/mol
Exact Mass381.11
IUPAC Name2-fluoro-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenol;hydrobromide
SMILESBr.CCCN(CCc1ccccc1)CCc1ccc(O)c(F)c1
InChIInChI=1S/C19H24FNO.BrH/c1-2-12-21(13-10-16-6-4-3-5-7-16)14-11-17-8-9-19(22)18(20)15-17;/h3-9,15,22H,2,10-14H2,1H3;1H
InChIKeyNWZVCBKYDMPOQE-UHFFFAOYSA-N
XLogP4.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenol;hydrobromide?
The IUPAC name of 2-fluoro-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenol;hydrobromide (CID 45264666) is 2-fluoro-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenol;hydrobromide.
What is the SMILES notation for 2-fluoro-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenol;hydrobromide?
The canonical SMILES for 2-fluoro-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenol;hydrobromide is Br.CCCN(CCc1ccccc1)CCc1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenol;hydrobromide?
The InChIKey is NWZVCBKYDMPOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO.BrH/c1-2-12-21(13-10-16-6-4-3-5-7-16)14-11-17-8-9-19(22)18(20)15-17;/h3-9,15,22H,2,10-14H2,1H3;1H.
What are the key properties of 2-fluoro-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenol;hydrobromide?
2-fluoro-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenol;hydrobromide has a molecular weight of 382.32 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenol;hydrobromide is sourced from PubChem (CID 45264666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).