1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea;hydrobromide

C19H26BrN3O2 — CID 70412302

IUPAC1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea;hydrobromide
SMILESBr.CCN(CCc1ccccc1)CCN(C(N)=O)c1ccc(O)cc1
InChIInChI=1S/C19H25N3O2.BrH/c1-2-21(13-12-16-6-4-3-5-7-16)14-15-22(19(20)24)17-8-10-18(23)11-9-17;/h3-11,23H,2,12-15H2,1H3,(H2,20,24);1H
InChIKeySFALUQJSUQWBMR-UHFFFAOYSA-N
MW408.34 g/mol
LogP3.42
Rot. Bonds8

About 1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea;hydrobromide

1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea;hydrobromide (PubChem CID 70412302) has the molecular formula C19H26BrN3O2 and a molecular weight of 408.34 g/mol. Its IUPAC name is 1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea;hydrobromide.

Molecular Properties

Compound Name1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea;hydrobromide
PubChem CID70412302
Molecular FormulaC19H26BrN3O2
Molecular Weight408.34 g/mol
Exact Mass407.12
IUPAC Name1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea;hydrobromide
SMILESBr.CCN(CCc1ccccc1)CCN(C(N)=O)c1ccc(O)cc1
InChIInChI=1S/C19H25N3O2.BrH/c1-2-21(13-12-16-6-4-3-5-7-16)14-15-22(19(20)24)17-8-10-18(23)11-9-17;/h3-11,23H,2,12-15H2,1H3,(H2,20,24);1H
InChIKeySFALUQJSUQWBMR-UHFFFAOYSA-N
XLogP3.42
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea
CID 57263501
4-[2-[benzyl(ethyl)amino]ethyl]phenol
CID 82187934
1-ethyl-1-(4-phenylmethoxyphenyl)urea
CID 67835509
1-[4-[[4-[carbamoyl-[3-(diethylamino)propyl]amino]phenyl]methyl]phenyl]-1-[3-(diethylamino)propyl]urea
CID 101304136
N-ethyl-N-(2-phenylethyl)heptan-1-amine
CID 59678043
5-[2-[ethyl(2-phenylethyl)amino]ethyl]-2-fluorophenol;hydrobromide
CID 14901824
1-docosyl-1-[3-(4-hydroxyphenyl)propyl]urea
CID 70039834
ethane;4-(4-hydroxyphenyl)phenol;propylbenzene
CID 174751919
1-hydroxy-1-(2-phenylethyl)urea
CID 10241398
N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine
CID 2059221
N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine
CID 43137195
acetamide;propylbenzene
CID 142238516

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea;hydrobromide?
The IUPAC name of 1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea;hydrobromide (CID 70412302) is 1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea;hydrobromide.
What is the SMILES notation for 1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea;hydrobromide?
The canonical SMILES for 1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea;hydrobromide is Br.CCN(CCc1ccccc1)CCN(C(N)=O)c1ccc(O)cc1.
What is the InChIKey of 1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea;hydrobromide?
The InChIKey is SFALUQJSUQWBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.BrH/c1-2-21(13-12-16-6-4-3-5-7-16)14-15-22(19(20)24)17-8-10-18(23)11-9-17;/h3-11,23H,2,12-15H2,1H3,(H2,20,24);1H.
What are the key properties of 1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea;hydrobromide?
1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea;hydrobromide has a molecular weight of 408.34 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(2-phenylethyl)amino]ethyl]-1-(4-hydroxyphenyl)urea;hydrobromide is sourced from PubChem (CID 70412302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).