1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea

C12H19N3O2 — CID 55102521

IUPAC1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCC(C)CN
InChIInChI=1S/C12H19N3O2/c1-9(7-13)8-14-12(16)15-10-5-3-4-6-11(10)17-2/h3-6,9H,7-8,13H2,1-2H3,(H2,14,15,16)
InChIKeyBRRFSJXCGYZJJP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.41
Rot. Bonds5

About 1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea

1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea (PubChem CID 55102521) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea
PubChem CID55102521
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NCC(C)CN
InChIInChI=1S/C12H19N3O2/c1-9(7-13)8-14-12(16)15-10-5-3-4-6-11(10)17-2/h3-6,9H,7-8,13H2,1-2H3,(H2,14,15,16)
InChIKeyBRRFSJXCGYZJJP-UHFFFAOYSA-N
XLogP1.41
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-amino-4-methylpentyl)-3-(2-methoxyphenyl)urea
CID 106153836
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea
CID 42473211
1-(2-methoxyphenyl)-3-(2-phenylbutyl)urea
CID 46647393
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
3-[[(2-methoxyphenyl)carbamoylamino]methyl]pentanoic acid
CID 81066539
1-(2-amino-1-phenylethyl)-3-(2-methoxyphenyl)urea
CID 63767864
1-(3-hydroxy-4,4-dimethylpentyl)-3-(2-methoxyphenyl)urea
CID 90523642
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168501
1-(2-chloroprop-2-enyl)-3-(2-methoxyphenyl)urea
CID 115640180
1-butan-2-yl-3-(2-methoxyphenyl)urea
CID 19167871
1-(1-hydroxypropan-2-yl)-3-(2-methoxyphenyl)urea
CID 43417318

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea (CID 55102521) is 1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NCC(C)CN.
What is the InChIKey of 1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea?
The InChIKey is BRRFSJXCGYZJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(7-13)8-14-12(16)15-10-5-3-4-6-11(10)17-2/h3-6,9H,7-8,13H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea?
1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea has a molecular weight of 237.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylpropyl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 55102521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).