1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea

C19H24FN3O — CID 86994324

IUPAC1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
SMILESCc1cc(CNC(=O)NC(CN(C)C)c2ccccc2)ccc1F
InChIInChI=1S/C19H24FN3O/c1-14-11-15(9-10-17(14)20)12-21-19(24)22-18(13-23(2)3)16-7-5-4-6-8-16/h4-11,18H,12-13H2,1-3H3,(H2,21,22,24)
InChIKeyVMSCASPIBXQHAE-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.24
Rot. Bonds6

About 1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea

1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea (PubChem CID 86994324) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
PubChem CID86994324
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
SMILESCc1cc(CNC(=O)NC(CN(C)C)c2ccccc2)ccc1F
InChIInChI=1S/C19H24FN3O/c1-14-11-15(9-10-17(14)20)12-21-19(24)22-18(13-23(2)3)16-7-5-4-6-8-16/h4-11,18H,12-13H2,1-3H3,(H2,21,22,24)
InChIKeyVMSCASPIBXQHAE-UHFFFAOYSA-N
XLogP3.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(dimethylamino)-1-phenylethyl]-3-[(3-fluoro-4-methoxyphenyl)methyl]urea
CID 78880262
1-[(3-fluoro-4-methylphenyl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895473
3-[[[2-(dimethylamino)-1-phenylethyl]carbamoylamino]methyl]-N-methylbenzamide
CID 86994360
1-[(4-fluoro-3-methylphenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea
CID 110937008
1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea
CID 78880258
1-amino-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 115192598
1-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 60544381
1-[1-(4-cyanophenyl)ethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea
CID 86994750
1-[2-(dimethylamino)-1-phenylethyl]-3-[[1-(4-fluorophenyl)cyclopropyl]methyl]urea
CID 78886107
1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 86993436
1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 78881674
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 111538780

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea (CID 86994324) is 1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea is Cc1cc(CNC(=O)NC(CN(C)C)c2ccccc2)ccc1F.
What is the InChIKey of 1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea?
The InChIKey is VMSCASPIBXQHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-14-11-15(9-10-17(14)20)12-21-19(24)22-18(13-23(2)3)16-7-5-4-6-8-16/h4-11,18H,12-13H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea?
1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea has a molecular weight of 329.42 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-1-phenylethyl]-3-[(4-fluoro-3-methylphenyl)methyl]urea is sourced from PubChem (CID 86994324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).