N-[(2-aminophenyl)methyl]-N-butylformamide

C12H18N2O — CID 89361806

IUPACN-[(2-aminophenyl)methyl]-N-butylformamide
SMILESCCCCN(C=O)Cc1ccccc1N
InChIInChI=1S/C12H18N2O/c1-2-3-8-14(10-15)9-11-6-4-5-7-12(11)13/h4-7,10H,2-3,8-9,13H2,1H3
InChIKeyGNPHUOSCLNHSON-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.03
Rot. Bonds6

About N-[(2-aminophenyl)methyl]-N-butylformamide

N-[(2-aminophenyl)methyl]-N-butylformamide (PubChem CID 89361806) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-butylformamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-butylformamide
PubChem CID89361806
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[(2-aminophenyl)methyl]-N-butylformamide
SMILESCCCCN(C=O)Cc1ccccc1N
InChIInChI=1S/C12H18N2O/c1-2-3-8-14(10-15)9-11-6-4-5-7-12(11)13/h4-7,10H,2-3,8-9,13H2,1H3
InChIKeyGNPHUOSCLNHSON-UHFFFAOYSA-N
XLogP2.03
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[ethyl(pentyl)amino]methyl]aniline
CID 43459376
2-[[octyl(propyl)amino]methyl]aniline
CID 43459961
1-(2-aminophenyl)-N,N-dibutylmethanesulfonamide
CID 62020523
N-butyl-N-[2-[2-(methylamino)phenyl]ethyl]formamide
CID 143294633
N,N-dibutylformamide;N-methyl-N-phenylformamide
CID 23174930
ethane;2-ethylaniline
CID 90841248
2-ethylaniline;propane
CID 143529464
2-[[2-methoxyethyl(propyl)amino]methyl]aniline
CID 43459932
2-[[3-ethylsulfonylpropyl(methyl)amino]methyl]aniline
CID 65093141
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459900
2-tetradecylaniline
CID 22218918
N-[(2-aminophenyl)methyl]-N-ethylheptanamide
CID 114751955

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-butylformamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-butylformamide (CID 89361806) is N-[(2-aminophenyl)methyl]-N-butylformamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-butylformamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-butylformamide is CCCCN(C=O)Cc1ccccc1N.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-butylformamide?
The InChIKey is GNPHUOSCLNHSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-3-8-14(10-15)9-11-6-4-5-7-12(11)13/h4-7,10H,2-3,8-9,13H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-butylformamide?
N-[(2-aminophenyl)methyl]-N-butylformamide has a molecular weight of 206.29 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-butylformamide is sourced from PubChem (CID 89361806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).