1-[4-(aminomethyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea

C16H18FN3O — CID 61499885

IUPAC1-[4-(aminomethyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea
SMILESCC(NC(=O)Nc1ccc(CN)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c1-11(13-4-6-14(17)7-5-13)19-16(21)20-15-8-2-12(10-18)3-9-15/h2-9,11H,10,18H2,1H3,(H2,19,20,21)
InChIKeyKFFMWQKWGSLANE-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.17
Rot. Bonds4

About 1-[4-(aminomethyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea

1-[4-(aminomethyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea (PubChem CID 61499885) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea
PubChem CID61499885
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name1-[4-(aminomethyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea
SMILESCC(NC(=O)Nc1ccc(CN)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O/c1-11(13-4-6-14(17)7-5-13)19-16(21)20-15-8-2-12(10-18)3-9-15/h2-9,11H,10,18H2,1H3,(H2,19,20,21)
InChIKeyKFFMWQKWGSLANE-UHFFFAOYSA-N
XLogP3.17
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(4-bromophenyl)ethyl]-3-(4-fluorophenyl)urea
CID 26008081
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
1-[1-(3-aminophenyl)ethyl]-3-(4-fluorophenyl)urea
CID 43298096
ethyl (E)-3-[4-[1-(4-fluorophenyl)ethylcarbamoylamino]phenyl]prop-2-enoate
CID 47040229
1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 27868351
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(4-fluorophenyl)urea
CID 24819117
1-[1-(3,4-difluorophenyl)ethyl]-3-(4-propylphenyl)urea
CID 112825000
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
2-[4-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 8719328
1-[4-(aminomethyl)phenyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 62118708
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea (CID 61499885) is 1-[4-(aminomethyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea is CC(NC(=O)Nc1ccc(CN)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea?
The InChIKey is KFFMWQKWGSLANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11(13-4-6-14(17)7-5-13)19-16(21)20-15-8-2-12(10-18)3-9-15/h2-9,11H,10,18H2,1H3,(H2,19,20,21).
What are the key properties of 1-[4-(aminomethyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea?
1-[4-(aminomethyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea has a molecular weight of 287.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-3-[1-(4-fluorophenyl)ethyl]urea is sourced from PubChem (CID 61499885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).