1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea

C11H16ClN3O — CID 63733150

IUPAC1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCC(C)N)cc1Cl
InChIInChI=1S/C11H16ClN3O/c1-7-3-4-9(5-10(7)12)15-11(16)14-6-8(2)13/h3-5,8H,6,13H2,1-2H3,(H2,14,15,16)
InChIKeyADLSNFRBCGYKAP-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.12
Rot. Bonds3

About 1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea

1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea (PubChem CID 63733150) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea.

Molecular Properties

Compound Name1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea
PubChem CID63733150
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCC(C)N)cc1Cl
InChIInChI=1S/C11H16ClN3O/c1-7-3-4-9(5-10(7)12)15-11(16)14-6-8(2)13/h3-5,8H,6,13H2,1-2H3,(H2,14,15,16)
InChIKeyADLSNFRBCGYKAP-UHFFFAOYSA-N
XLogP2.12
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[(3-chloro-4-methylphenyl)carbamoylamino]-2-hydroxypropanoate
CID 103878988
2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
1-(2-amino-2-sulfanylideneethyl)-3-(3-chloro-4-methylphenyl)urea
CID 61127307
1-(1-aminopropan-2-yl)-3-(3-chloro-4-methylphenyl)urea
CID 63731547
4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
CID 120558654
1-(3-chloro-4-methylphenyl)-3-(3-oxobutyl)urea
CID 108894961
1-(3-chloro-4-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 16842233
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86980282
methyl 2-[(3-chloro-4-methylphenyl)carbamoylamino]propanoate
CID 3416421
2-[(3-chloro-4-methylphenyl)carbamoylamino]-N-propylpropanamide
CID 47112271
1-(3-amino-2,2-difluoropropyl)-3-(3-chloro-4-methylphenyl)urea
CID 114383867
1-(3,4-dichlorophenyl)-3-(3-methyl-2-propan-2-ylbutyl)urea
CID 102916216

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea?
The IUPAC name of 1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea (CID 63733150) is 1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea.
What is the SMILES notation for 1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea?
The canonical SMILES for 1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea is Cc1ccc(NC(=O)NCC(C)N)cc1Cl.
What is the InChIKey of 1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea?
The InChIKey is ADLSNFRBCGYKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-3-4-9(5-10(7)12)15-11(16)14-6-8(2)13/h3-5,8H,6,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea?
1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea has a molecular weight of 241.72 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea is sourced from PubChem (CID 63733150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).