N-(2-aminoethyl)-N-(4-methylphenyl)formamide

C10H14N2O — CID 82503582

IUPACN-(2-aminoethyl)-N-(4-methylphenyl)formamide
SMILESCc1ccc(N(C=O)CCN)cc1
InChIInChI=1S/C10H14N2O/c1-9-2-4-10(5-3-9)12(8-13)7-6-11/h2-5,8H,6-7,11H2,1H3
InChIKeyUVMPRXSLXGDKLO-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.92
Rot. Bonds4

About N-(2-aminoethyl)-N-(4-methylphenyl)formamide

N-(2-aminoethyl)-N-(4-methylphenyl)formamide (PubChem CID 82503582) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(4-methylphenyl)formamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(4-methylphenyl)formamide
PubChem CID82503582
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC NameN-(2-aminoethyl)-N-(4-methylphenyl)formamide
SMILESCc1ccc(N(C=O)CCN)cc1
InChIInChI=1S/C10H14N2O/c1-9-2-4-10(5-3-9)12(8-13)7-6-11/h2-5,8H,6-7,11H2,1H3
InChIKeyUVMPRXSLXGDKLO-UHFFFAOYSA-N
XLogP0.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N-propylformamide
CID 19362602
N-(4-methylphenyl)-N-phenylformamide
CID 11063734
N'-butan-2-yl-N'-(4-methylphenyl)propane-1,3-diamine
CID 43136067
N,N,N',N'-tetrakis(4-methylphenyl)ethane-1,2-diamine
CID 118073970
4-[2-aminoethyl(methyl)amino]benzaldehyde
CID 138510674
N'-(diethylsulfamoyl)-N'-(4-methylphenyl)propane-1,3-diamine
CID 43318680
1,2-bis(4-methylphenyl)-1,2-dipropylhydrazine
CID 135017114
N-(2-aminoethyl)-4-methyl-N-propylbenzenesulfonamide
CID 61348592
N'-[(4-chlorophenyl)methyl]-N'-(4-methylphenyl)ethane-1,2-diamine
CID 28771400
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
N-(2-aminoethyl)-N-(4-fluorophenyl)-4-methylbenzamide
CID 28769273
N-(2-aminoethyl)-N,4-dimethylbenzenesulfonamide
CID 10376490

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(4-methylphenyl)formamide?
The IUPAC name of N-(2-aminoethyl)-N-(4-methylphenyl)formamide (CID 82503582) is N-(2-aminoethyl)-N-(4-methylphenyl)formamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(4-methylphenyl)formamide?
The canonical SMILES for N-(2-aminoethyl)-N-(4-methylphenyl)formamide is Cc1ccc(N(C=O)CCN)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-(4-methylphenyl)formamide?
The InChIKey is UVMPRXSLXGDKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-9-2-4-10(5-3-9)12(8-13)7-6-11/h2-5,8H,6-7,11H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-(4-methylphenyl)formamide?
N-(2-aminoethyl)-N-(4-methylphenyl)formamide has a molecular weight of 178.23 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(4-methylphenyl)formamide is sourced from PubChem (CID 82503582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).