N-[2-[methyl-[2-(3-methylphenyl)ethyl]amino]ethyl]formamide

C13H20N2O — CID 142389999

IUPACN-[2-[methyl-[2-(3-methylphenyl)ethyl]amino]ethyl]formamide
SMILESCc1cccc(CCN(C)CCNC=O)c1
InChIInChI=1S/C13H20N2O/c1-12-4-3-5-13(10-12)6-8-15(2)9-7-14-11-16/h3-5,10-11H,6-9H2,1-2H3,(H,14,16)
InChIKeyFGXGVHIOVHQDKM-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.22
Rot. Bonds7

About N-[2-[methyl-[2-(3-methylphenyl)ethyl]amino]ethyl]formamide

N-[2-[methyl-[2-(3-methylphenyl)ethyl]amino]ethyl]formamide (PubChem CID 142389999) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[2-[methyl-[2-(3-methylphenyl)ethyl]amino]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[methyl-[2-(3-methylphenyl)ethyl]amino]ethyl]formamide
PubChem CID142389999
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[2-[methyl-[2-(3-methylphenyl)ethyl]amino]ethyl]formamide
SMILESCc1cccc(CCN(C)CCNC=O)c1
InChIInChI=1S/C13H20N2O/c1-12-4-3-5-13(10-12)6-8-15(2)9-7-14-11-16/h3-5,10-11H,6-9H2,1-2H3,(H,14,16)
InChIKeyFGXGVHIOVHQDKM-UHFFFAOYSA-N
XLogP1.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[methyl-[2-(3-methylphenyl)ethyl]amino]propanoate
CID 115232585
methyl 4-[methyl-[2-(3-methylphenyl)ethyl]amino]butanoate
CID 115233522
[methyl-[2-(3-methylphenyl)ethyl]amino]methanol
CID 115229547
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-2-(3-methylphenyl)ethanamine
CID 115213284
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide
CID 115166756
N-methyl-N-[2-(3-methylphenyl)ethyl]thiohydroxylamine
CID 129060272
N'-methyl-N'-[(3-methylphenyl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 61411868
N'-(2-methoxyethyl)-N'-methyl-N-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 62844290
ethyl 2-[methyl-[2-(3-methylphenyl)ethyl]amino]acetate
CID 115257572
2,2-dimethyl-3-[methyl-[2-(3-methylphenyl)ethyl]amino]propanoic acid
CID 115136684
N-(cyclopropylmethyl)-N'-methyl-N'-[(3-methylphenyl)methyl]ethane-1,2-diamine
CID 55070888
2-(ethylamino)-N-methyl-N-[2-(3-methylphenyl)ethyl]acetamide
CID 115158122

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[2-(3-methylphenyl)ethyl]amino]ethyl]formamide?
The IUPAC name of N-[2-[methyl-[2-(3-methylphenyl)ethyl]amino]ethyl]formamide (CID 142389999) is N-[2-[methyl-[2-(3-methylphenyl)ethyl]amino]ethyl]formamide.
What is the SMILES notation for N-[2-[methyl-[2-(3-methylphenyl)ethyl]amino]ethyl]formamide?
The canonical SMILES for N-[2-[methyl-[2-(3-methylphenyl)ethyl]amino]ethyl]formamide is Cc1cccc(CCN(C)CCNC=O)c1.
What is the InChIKey of N-[2-[methyl-[2-(3-methylphenyl)ethyl]amino]ethyl]formamide?
The InChIKey is FGXGVHIOVHQDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-12-4-3-5-13(10-12)6-8-15(2)9-7-14-11-16/h3-5,10-11H,6-9H2,1-2H3,(H,14,16).
What are the key properties of N-[2-[methyl-[2-(3-methylphenyl)ethyl]amino]ethyl]formamide?
N-[2-[methyl-[2-(3-methylphenyl)ethyl]amino]ethyl]formamide has a molecular weight of 220.32 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[2-(3-methylphenyl)ethyl]amino]ethyl]formamide is sourced from PubChem (CID 142389999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).