N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide

C13H20N2O — CID 43460336

IUPACN-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide
SMILESCCC(=O)N(Cc1ccccc1N)C(C)C
InChIInChI=1S/C13H20N2O/c1-4-13(16)15(10(2)3)9-11-7-5-6-8-12(11)14/h5-8,10H,4,9,14H2,1-3H3
InChIKeyAYEMIXDICGVNIE-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.42
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide

N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide (PubChem CID 43460336) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide
PubChem CID43460336
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide
SMILESCCC(=O)N(Cc1ccccc1N)C(C)C
InChIInChI=1S/C13H20N2O/c1-4-13(16)15(10(2)3)9-11-7-5-6-8-12(11)14/h5-8,10H,4,9,14H2,1-3H3
InChIKeyAYEMIXDICGVNIE-UHFFFAOYSA-N
XLogP2.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 43384061
2-[(2-aminophenyl)methyl-propanoylamino]butanoic acid
CID 175596185
N-[(2-aminophenyl)methyl]-3,4,4-trimethyl-N-propan-2-ylpentanamide
CID 63833559
N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205556
N-[(2-aminophenyl)methyl]-N-propan-2-yl-2-(thian-4-yl)acetamide
CID 83136533
N-[(2-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-propan-2-ylpropanamide
CID 103205555
N-[(2-aminophenyl)methyl]-2-bromo-N-propan-2-ylbenzamide
CID 43460393
1-[(2-aminophenyl)methyl]-3-cyclopropyl-1-propan-2-ylurea
CID 62700033
2-(2-aminophenyl)-N-pentyl-N-propan-2-ylacetamide
CID 61105636
2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-cyclopropyl-N-ethylacetamide
CID 61488701
2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-methylacetamide
CID 43460418
2-[(2-aminophenyl)methyl-propan-2-ylamino]butanamide
CID 62899492

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide (CID 43460336) is N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide is CCC(=O)N(Cc1ccccc1N)C(C)C.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide?
The InChIKey is AYEMIXDICGVNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-13(16)15(10(2)3)9-11-7-5-6-8-12(11)14/h5-8,10H,4,9,14H2,1-3H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide?
N-[(2-aminophenyl)methyl]-N-propan-2-ylpropanamide has a molecular weight of 220.32 g/mol, XLogP of 2.42, 4 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-propan-2-ylpropanamide is sourced from PubChem (CID 43460336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).