1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea

C13H20FN3O — CID 122565152

IUPAC1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea
SMILESCN(C)Cc1ccccc1CNC(=O)NCCF
InChIInChI=1S/C13H20FN3O/c1-17(2)10-12-6-4-3-5-11(12)9-16-13(18)15-8-7-14/h3-6H,7-10H2,1-2H3,(H2,15,16,18)
InChIKeyXFCXAQABRXSUEN-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.52
Rot. Bonds6

About 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea

1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea (PubChem CID 122565152) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea.

Molecular Properties

Compound Name1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea
PubChem CID122565152
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea
SMILESCN(C)Cc1ccccc1CNC(=O)NCCF
InChIInChI=1S/C13H20FN3O/c1-17(2)10-12-6-4-3-5-11(12)9-16-13(18)15-8-7-14/h3-6H,7-10H2,1-2H3,(H2,15,16,18)
InChIKeyXFCXAQABRXSUEN-UHFFFAOYSA-N
XLogP1.52
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119835483
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 61258455
1-[2-(4-tert-butylphenoxy)ethyl]-3-[[2-[(dimethylamino)methyl]phenyl]methyl]urea
CID 47016753
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937015
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide
CID 55104517
4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 61260959
2-(aminomethyl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylbutanamide
CID 65229042
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(1-hydroxybutan-2-yl)urea
CID 110892419
ethyl N-[[2-[(dimethylamino)methyl]phenyl]methyl]carbamate
CID 60668726
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120865
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111440796
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CID 111751057

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea?
The IUPAC name of 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea (CID 122565152) is 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea.
What is the SMILES notation for 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea?
The canonical SMILES for 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea is CN(C)Cc1ccccc1CNC(=O)NCCF.
What is the InChIKey of 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea?
The InChIKey is XFCXAQABRXSUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-17(2)10-12-6-4-3-5-11(12)9-16-13(18)15-8-7-14/h3-6H,7-10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea?
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea has a molecular weight of 253.32 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(2-fluoroethyl)urea is sourced from PubChem (CID 122565152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).