[2-(aminomethyl)phenyl]methylurea

C9H13N3O — CID 62949906

IUPAC[2-(aminomethyl)phenyl]methylurea
SMILESNCc1ccccc1CNC(N)=O
InChIInChI=1S/C9H13N3O/c10-5-7-3-1-2-4-8(7)6-12-9(11)13/h1-4H,5-6,10H2,(H3,11,12,13)
InChIKeyIGYHSAPNMHMTOH-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.31
Rot. Bonds3

About [2-(aminomethyl)phenyl]methylurea

[2-(aminomethyl)phenyl]methylurea (PubChem CID 62949906) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is [2-(aminomethyl)phenyl]methylurea.

Molecular Properties

Compound Name[2-(aminomethyl)phenyl]methylurea
PubChem CID62949906
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name[2-(aminomethyl)phenyl]methylurea
SMILESNCc1ccccc1CNC(N)=O
InChIInChI=1S/C9H13N3O/c10-5-7-3-1-2-4-8(7)6-12-9(11)13/h1-4H,5-6,10H2,(H3,11,12,13)
InChIKeyIGYHSAPNMHMTOH-UHFFFAOYSA-N
XLogP0.31
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide
CID 62952159
(2-phenylphenyl)methylurea
CID 67020414
3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide
CID 62949892
N-[[2-(aminomethyl)phenyl]methyl]-2-cyclopropylacetamide
CID 62952151
N-[[2-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylacetamide
CID 62951184
N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide
CID 63186443
2-[2-[[2-(carbamoylamino)ethylcarbamoylamino]methyl]phenyl]acetic acid
CID 83113961
N-[[2-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 62950627
N-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide
CID 62950632
N-[2-(carbamoylamino)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78994089
N-[[2-(aminomethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211716
N-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide
CID 104671375

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)phenyl]methylurea?
The IUPAC name of [2-(aminomethyl)phenyl]methylurea (CID 62949906) is [2-(aminomethyl)phenyl]methylurea.
What is the SMILES notation for [2-(aminomethyl)phenyl]methylurea?
The canonical SMILES for [2-(aminomethyl)phenyl]methylurea is NCc1ccccc1CNC(N)=O.
What is the InChIKey of [2-(aminomethyl)phenyl]methylurea?
The InChIKey is IGYHSAPNMHMTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-5-7-3-1-2-4-8(7)6-12-9(11)13/h1-4H,5-6,10H2,(H3,11,12,13).
What are the key properties of [2-(aminomethyl)phenyl]methylurea?
[2-(aminomethyl)phenyl]methylurea has a molecular weight of 179.22 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)phenyl]methylurea is sourced from PubChem (CID 62949906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).