1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea

C12H19N3O2 — CID 63766734

IUPAC1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea
SMILESCOc1ccccc1NC(=O)N(C)CC(C)N
InChIInChI=1S/C12H19N3O2/c1-9(13)8-15(2)12(16)14-10-6-4-5-7-11(10)17-3/h4-7,9H,8,13H2,1-3H3,(H,14,16)
InChIKeyADTVRPNNINRXCE-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.51
Rot. Bonds4

About 1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea

1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea (PubChem CID 63766734) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea
PubChem CID63766734
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea
SMILESCOc1ccccc1NC(=O)N(C)CC(C)N
InChIInChI=1S/C12H19N3O2/c1-9(13)8-15(2)12(16)14-10-6-4-5-7-11(10)17-3/h4-7,9H,8,13H2,1-3H3,(H,14,16)
InChIKeyADTVRPNNINRXCE-UHFFFAOYSA-N
XLogP1.51
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
1-(4-aminobutan-2-yl)-3-(2-methoxyphenyl)-1-methylurea
CID 63225235
1-[(4-bromophenyl)methyl]-3-(2-methoxyphenyl)-1-methylurea
CID 31770982
3-(2-methoxyphenyl)-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea
CID 52503085
3-(2-methoxyphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 16612937
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide
CID 81496851
ethane;(2-methoxyphenyl)urea
CID 143063924
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
2-methyl-3-[methyl-[(2-prop-2-ynoxyphenyl)carbamoyl]amino]propanoic acid
CID 122090530
1-(4-hydroxybutan-2-yl)-3-(2-methoxyphenyl)urea
CID 78998444
3-(2-methoxyphenyl)-1-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 55570707
(2R)-2-bromo-N-(2-methoxyphenyl)propanamide
CID 737002

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea?
The IUPAC name of 1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea (CID 63766734) is 1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea.
What is the SMILES notation for 1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea?
The canonical SMILES for 1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea is COc1ccccc1NC(=O)N(C)CC(C)N.
What is the InChIKey of 1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea?
The InChIKey is ADTVRPNNINRXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(13)8-15(2)12(16)14-10-6-4-5-7-11(10)17-3/h4-7,9H,8,13H2,1-3H3,(H,14,16).
What are the key properties of 1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea?
1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea has a molecular weight of 237.30 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)-3-(2-methoxyphenyl)-1-methylurea is sourced from PubChem (CID 63766734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).