1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea

C14H22FN3O — CID 79154007

IUPAC1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea
SMILESCCN(CC)C(=O)N(CCCN)c1ccc(F)cc1
InChIInChI=1S/C14H22FN3O/c1-3-17(4-2)14(19)18(11-5-10-16)13-8-6-12(15)7-9-13/h6-9H,3-5,10-11,16H2,1-2H3
InChIKeyPOBHIAZJNUQCKG-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.44
Rot. Bonds6

About 1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea

1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea (PubChem CID 79154007) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea
PubChem CID79154007
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea
SMILESCCN(CC)C(=O)N(CCCN)c1ccc(F)cc1
InChIInChI=1S/C14H22FN3O/c1-3-17(4-2)14(19)18(11-5-10-16)13-8-6-12(15)7-9-13/h6-9H,3-5,10-11,16H2,1-2H3
InChIKeyPOBHIAZJNUQCKG-UHFFFAOYSA-N
XLogP2.44
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-(4-fluorophenyl)acetamide
CID 28767388
1-(3-aminopropyl)-1-(4-fluorophenyl)urea
CID 43136215
N-(3-aminopropyl)-N-(4-fluorophenyl)-3-methoxy-3-methylbutanamide
CID 103017246
1-[4-(aminomethyl)phenyl]-3,3-diethyl-1-propylurea
CID 79154788
2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid
CID 61186783
1-(3-aminopropyl)-3-ethyl-1-(4-methoxyphenyl)-3-methylurea
CID 79160191
N-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801026
N-(3-aminopropyl)-N-(4-fluorophenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205332
N-(2-aminoethyl)-N-(4-fluorophenyl)acetamide
CID 28769229
N-(3-aminopropyl)-N-(4-fluorophenyl)-2-methyloxolane-3-carboxamide
CID 79750448
2-[N-(3-aminopropyl)-4-fluoroanilino]-N-methylacetamide
CID 43136261
N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide
CID 43136499

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea?
The IUPAC name of 1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea (CID 79154007) is 1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea.
What is the SMILES notation for 1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea?
The canonical SMILES for 1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea is CCN(CC)C(=O)N(CCCN)c1ccc(F)cc1.
What is the InChIKey of 1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea?
The InChIKey is POBHIAZJNUQCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-3-17(4-2)14(19)18(11-5-10-16)13-8-6-12(15)7-9-13/h6-9H,3-5,10-11,16H2,1-2H3.
What are the key properties of 1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea?
1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea has a molecular weight of 267.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3,3-diethyl-1-(4-fluorophenyl)urea is sourced from PubChem (CID 79154007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).