3-[3-(aminomethyl)-2-methylphenyl]-1,1-dimethylurea

C11H17N3O — CID 82507361

IUPAC3-[3-(aminomethyl)-2-methylphenyl]-1,1-dimethylurea
SMILESCc1c(CN)cccc1NC(=O)N(C)C
InChIInChI=1S/C11H17N3O/c1-8-9(7-12)5-4-6-10(8)13-11(15)14(2)3/h4-6H,7,12H2,1-3H3,(H,13,15)
InChIKeyPUULYWMKFHJWTH-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.55
Rot. Bonds2

About 3-[3-(aminomethyl)-2-methylphenyl]-1,1-dimethylurea

3-[3-(aminomethyl)-2-methylphenyl]-1,1-dimethylurea (PubChem CID 82507361) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[3-(aminomethyl)-2-methylphenyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[3-(aminomethyl)-2-methylphenyl]-1,1-dimethylurea
PubChem CID82507361
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-[3-(aminomethyl)-2-methylphenyl]-1,1-dimethylurea
SMILESCc1c(CN)cccc1NC(=O)N(C)C
InChIInChI=1S/C11H17N3O/c1-8-9(7-12)5-4-6-10(8)13-11(15)14(2)3/h4-6H,7,12H2,1-3H3,(H,13,15)
InChIKeyPUULYWMKFHJWTH-UHFFFAOYSA-N
XLogP1.55
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(dimethylcarbamoylamino)-3-methylphenyl]-1,1-dimethylurea
CID 67750256
2-[2-(aminomethyl)phenyl]-N-(2,3-dimethylphenyl)acetamide
CID 81317941
2-(3-acetamido-2-methylphenyl)acetic acid
CID 84819235
3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea
CID 102847778
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
N-[2-(aminomethyl)phenyl]-2-[ethyl(methyl)amino]acetamide
CID 43263109
3-[3-(aminomethyl)-4-fluorophenyl]-1,1-dimethylurea
CID 79154504
[3-(aminomethyl)-2-methylphenyl]methanol
CID 45091737
ethyl 3-[2-(dimethylcarbamoylamino)phenyl]prop-2-enoate
CID 175393232
N-[2-[2-(aminomethyl)-6-methylphenoxy]phenyl]acetamide
CID 107105915
3-[2-[hydroxy(diphenyl)methyl]phenyl]-1,1-dimethylurea
CID 10497782

Frequently Asked Questions

What is the IUPAC name of 3-[3-(aminomethyl)-2-methylphenyl]-1,1-dimethylurea?
The IUPAC name of 3-[3-(aminomethyl)-2-methylphenyl]-1,1-dimethylurea (CID 82507361) is 3-[3-(aminomethyl)-2-methylphenyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[3-(aminomethyl)-2-methylphenyl]-1,1-dimethylurea?
The canonical SMILES for 3-[3-(aminomethyl)-2-methylphenyl]-1,1-dimethylurea is Cc1c(CN)cccc1NC(=O)N(C)C.
What is the InChIKey of 3-[3-(aminomethyl)-2-methylphenyl]-1,1-dimethylurea?
The InChIKey is PUULYWMKFHJWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-9(7-12)5-4-6-10(8)13-11(15)14(2)3/h4-6H,7,12H2,1-3H3,(H,13,15).
What are the key properties of 3-[3-(aminomethyl)-2-methylphenyl]-1,1-dimethylurea?
3-[3-(aminomethyl)-2-methylphenyl]-1,1-dimethylurea has a molecular weight of 207.28 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(aminomethyl)-2-methylphenyl]-1,1-dimethylurea is sourced from PubChem (CID 82507361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).