N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride

C9H13ClN2O — CID 141415760

IUPACN-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride
SMILESCl.NCc1ccc(CNC=O)cc1
InChIInChI=1S/C9H12N2O.ClH/c10-5-8-1-3-9(4-2-8)6-11-7-12;/h1-4,7H,5-6,10H2,(H,11,12);1H
InChIKeyPBCIMWKQDRHODJ-UHFFFAOYSA-N
MW200.67 g/mol
LogP0.81
Rot. Bonds4

About N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride

N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride (PubChem CID 141415760) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride
PubChem CID141415760
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride
SMILESCl.NCc1ccc(CNC=O)cc1
InChIInChI=1S/C9H12N2O.ClH/c10-5-8-1-3-9(4-2-8)6-11-7-12;/h1-4,7H,5-6,10H2,(H,11,12);1H
InChIKeyPBCIMWKQDRHODJ-UHFFFAOYSA-N
XLogP0.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(hydroxymethyl)phenyl]methyl]formamide
CID 58613645
(3-chlorophenyl)methanamine;N-[(3-chlorophenyl)methyl]formamide
CID 87654409
N-benzylformamide
CID 139060556
N-[[4-(aminomethyl)-3-fluorophenyl]methyl]formamide
CID 118871355
N-[(4-phenylphenyl)methyl]formamide
CID 54112237
N-[(4-methylsulfinylphenyl)methyl]formamide
CID 144669609
N-[(4-methylsulfonylphenyl)methyl]formamide
CID 64992052
N-[[4-(3-amino-2-hydroxypropoxy)phenyl]methyl]formamide
CID 54455314
benzene-1,2-diol;N-benzylformamide
CID 174601153
[4-(formamidomethyl)phenyl] thiocyanate
CID 143901913
(Z)-N-[[4-(aminomethyl)phenyl]methyl]-2-methylbut-1-ene-1,4-diamine
CID 166944578
4-[[[4-(aminomethyl)phenyl]methylamino]methyl]benzoic acid
CID 168845586

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride (CID 141415760) is N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride is Cl.NCc1ccc(CNC=O)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride?
The InChIKey is PBCIMWKQDRHODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.ClH/c10-5-8-1-3-9(4-2-8)6-11-7-12;/h1-4,7H,5-6,10H2,(H,11,12);1H.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride?
N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride has a molecular weight of 200.67 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]formamide;hydrochloride is sourced from PubChem (CID 141415760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).