1-[4-(1-aminopropan-2-ylamino)phenyl]-3-methylurea

C11H18N4O — CID 103388916

IUPAC1-[4-(1-aminopropan-2-ylamino)phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NC(C)CN)cc1
InChIInChI=1S/C11H18N4O/c1-8(7-12)14-9-3-5-10(6-4-9)15-11(16)13-2/h3-6,8,14H,7,12H2,1-2H3,(H2,13,15,16)
InChIKeyMSJLWEYXJABIHB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.20
Rot. Bonds4

About 1-[4-(1-aminopropan-2-ylamino)phenyl]-3-methylurea

1-[4-(1-aminopropan-2-ylamino)phenyl]-3-methylurea (PubChem CID 103388916) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[4-(1-aminopropan-2-ylamino)phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-(1-aminopropan-2-ylamino)phenyl]-3-methylurea
PubChem CID103388916
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-[4-(1-aminopropan-2-ylamino)phenyl]-3-methylurea
SMILESCNC(=O)Nc1ccc(NC(C)CN)cc1
InChIInChI=1S/C11H18N4O/c1-8(7-12)14-9-3-5-10(6-4-9)15-11(16)13-2/h3-6,8,14H,7,12H2,1-2H3,(H2,13,15,16)
InChIKeyMSJLWEYXJABIHB-UHFFFAOYSA-N
XLogP1.20
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[4-(5-methylhexan-2-ylamino)phenyl]urea
CID 43744375
1-methyl-3-[4-(4-methylpentan-2-ylamino)phenyl]urea
CID 43744400
1-methyl-3-[4-(1-methylsulfonylpropan-2-ylamino)phenyl]urea
CID 64629337
5-amino-4-methyl-N-[4-(methylcarbamoylamino)phenyl]pentanamide
CID 82011170
4-(1-aminopropan-2-ylamino)benzoic acid
CID 103387752
2-amino-N-[4-(methylcarbamoylamino)phenyl]acetamide
CID 43710915
2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide
CID 65225076
2-N-(4-methylphenyl)propane-1,2-diamine
CID 12693167
1-(1-aminopropan-2-yl)-3-phenylurea
CID 23364218
2-methyl-3-(methylamino)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 79195690
ethyl 4-(1-aminopropan-2-ylamino)benzoate
CID 103387755
2-N-(4-propan-2-ylphenyl)propane-1,2-diamine
CID 103387154

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminopropan-2-ylamino)phenyl]-3-methylurea?
The IUPAC name of 1-[4-(1-aminopropan-2-ylamino)phenyl]-3-methylurea (CID 103388916) is 1-[4-(1-aminopropan-2-ylamino)phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-(1-aminopropan-2-ylamino)phenyl]-3-methylurea?
The canonical SMILES for 1-[4-(1-aminopropan-2-ylamino)phenyl]-3-methylurea is CNC(=O)Nc1ccc(NC(C)CN)cc1.
What is the InChIKey of 1-[4-(1-aminopropan-2-ylamino)phenyl]-3-methylurea?
The InChIKey is MSJLWEYXJABIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(7-12)14-9-3-5-10(6-4-9)15-11(16)13-2/h3-6,8,14H,7,12H2,1-2H3,(H2,13,15,16).
What are the key properties of 1-[4-(1-aminopropan-2-ylamino)phenyl]-3-methylurea?
1-[4-(1-aminopropan-2-ylamino)phenyl]-3-methylurea has a molecular weight of 222.29 g/mol, XLogP of 1.20, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminopropan-2-ylamino)phenyl]-3-methylurea is sourced from PubChem (CID 103388916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).