[2-(aminomethyl)phenyl]methylcyanamide

C9H11N3 — CID 139669460

IUPAC[2-(aminomethyl)phenyl]methylcyanamide
SMILESN#CNCc1ccccc1CN
InChIInChI=1S/C9H11N3/c10-5-8-3-1-2-4-9(8)6-12-7-11/h1-4,12H,5-6,10H2
InChIKeyQIAYBCNVHPVJGR-UHFFFAOYSA-N
MW161.21 g/mol
LogP0.72
Rot. Bonds3

About [2-(aminomethyl)phenyl]methylcyanamide

[2-(aminomethyl)phenyl]methylcyanamide (PubChem CID 139669460) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is [2-(aminomethyl)phenyl]methylcyanamide.

Molecular Properties

Compound Name[2-(aminomethyl)phenyl]methylcyanamide
PubChem CID139669460
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name[2-(aminomethyl)phenyl]methylcyanamide
SMILESN#CNCc1ccccc1CN
InChIInChI=1S/C9H11N3/c10-5-8-3-1-2-4-9(8)6-12-7-11/h1-4,12H,5-6,10H2
InChIKeyQIAYBCNVHPVJGR-UHFFFAOYSA-N
XLogP0.72
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

[2-(ethoxymethyl)phenyl]methylcyanamide
CID 62481050
4-[[2-(aminomethyl)phenyl]methylamino]benzonitrile
CID 62951583
N-[[2-(aminomethyl)phenyl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 166473574
4-[[2-(aminomethyl)phenyl]methylamino]-3,5-difluorobenzonitrile
CID 81294412
[2-(aminomethyl)phenyl]methylurea
CID 62949906
N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide
CID 62949532
N-[[2-(aminomethyl)phenyl]methyl]-1-cyclopropylmethanesulfonamide
CID 64989311
[2-[(diphenylphosphoryloxyamino)methyl]phenyl]methanamine
CID 175451899
N-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide
CID 62952159
N-[[2-(aminomethyl)phenyl]methyl]-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79211716
2-[2-(aminomethyl)phenyl]-N-methylethanamine
CID 58788115
ethanethial;(2-methylphenyl)methanamine
CID 143288844

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)phenyl]methylcyanamide?
The IUPAC name of [2-(aminomethyl)phenyl]methylcyanamide (CID 139669460) is [2-(aminomethyl)phenyl]methylcyanamide.
What is the SMILES notation for [2-(aminomethyl)phenyl]methylcyanamide?
The canonical SMILES for [2-(aminomethyl)phenyl]methylcyanamide is N#CNCc1ccccc1CN.
What is the InChIKey of [2-(aminomethyl)phenyl]methylcyanamide?
The InChIKey is QIAYBCNVHPVJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c10-5-8-3-1-2-4-9(8)6-12-7-11/h1-4,12H,5-6,10H2.
What are the key properties of [2-(aminomethyl)phenyl]methylcyanamide?
[2-(aminomethyl)phenyl]methylcyanamide has a molecular weight of 161.21 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)phenyl]methylcyanamide is sourced from PubChem (CID 139669460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).