N-[2-(3-aminopropyl)phenyl]-N-methylacetamide

C12H18N2O — CID 143582453

IUPACN-[2-(3-aminopropyl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1CCCN
InChIInChI=1S/C12H18N2O/c1-10(15)14(2)12-8-4-3-6-11(12)7-5-9-13/h3-4,6,8H,5,7,9,13H2,1-2H3
InChIKeyMRTMXYAAONWGRI-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.56
Rot. Bonds4

About N-[2-(3-aminopropyl)phenyl]-N-methylacetamide

N-[2-(3-aminopropyl)phenyl]-N-methylacetamide (PubChem CID 143582453) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[2-(3-aminopropyl)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3-aminopropyl)phenyl]-N-methylacetamide
PubChem CID143582453
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[2-(3-aminopropyl)phenyl]-N-methylacetamide
SMILESCC(=O)N(C)c1ccccc1CCCN
InChIInChI=1S/C12H18N2O/c1-10(15)14(2)12-8-4-3-6-11(12)7-5-9-13/h3-4,6,8H,5,7,9,13H2,1-2H3
InChIKeyMRTMXYAAONWGRI-UHFFFAOYSA-N
XLogP1.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[acetyl(methyl)amino]phenyl]methyl acetate
CID 13244169
(2-butylphenyl)-methylcarbamic acid
CID 57194702
N-[2-[[2-[acetyl(methyl)amino]phenyl]diselanyl]phenyl]-N-methylacetamide
CID 6451931
diethyl 2-[3-[2-[(4-chlorobenzoyl)-methylamino]phenyl]propyl]propanedioate
CID 70551102
[2-(hydroxymethyl)phenyl]-methylcarbamic acid
CID 18370050
N-[2-[(2,3-difluorophenyl)methylamino]phenyl]-N-methylacetamide
CID 71978040
N-[2-(1,1-difluoropropyl)phenyl]-N-methylacetamide
CID 162581119
1-[2-(2-hydroxypropyl)phenyl]-1-methylurea
CID 117297750
3-(3-aminopropyl)-1-ethylpyridin-2-one
CID 105438966
2-(2-aminoethyl)-N-methyl-N-phenylaniline
CID 63784561
[2-(3-aminopropyl)phenyl]phosphonic acid
CID 54396529
[3-(3-aminopropyl)-2-pyridinyl] acetate
CID 174988941

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopropyl)phenyl]-N-methylacetamide?
The IUPAC name of N-[2-(3-aminopropyl)phenyl]-N-methylacetamide (CID 143582453) is N-[2-(3-aminopropyl)phenyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(3-aminopropyl)phenyl]-N-methylacetamide?
The canonical SMILES for N-[2-(3-aminopropyl)phenyl]-N-methylacetamide is CC(=O)N(C)c1ccccc1CCCN.
What is the InChIKey of N-[2-(3-aminopropyl)phenyl]-N-methylacetamide?
The InChIKey is MRTMXYAAONWGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(15)14(2)12-8-4-3-6-11(12)7-5-9-13/h3-4,6,8H,5,7,9,13H2,1-2H3.
What are the key properties of N-[2-(3-aminopropyl)phenyl]-N-methylacetamide?
N-[2-(3-aminopropyl)phenyl]-N-methylacetamide has a molecular weight of 206.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopropyl)phenyl]-N-methylacetamide is sourced from PubChem (CID 143582453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).