N-methyl-1-phenyl-N-propylpropan-2-amine

C13H21N — CID 524959

IUPACN-methyl-1-phenyl-N-propylpropan-2-amine
SMILESCCCN(C)C(C)Cc1ccccc1
InChIInChI=1S/C13H21N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3
InChIKeyNJRKFGIEJVKUHP-UHFFFAOYSA-N
MW191.32 g/mol
LogP2.96
Rot. Bonds5

About N-methyl-1-phenyl-N-propylpropan-2-amine

N-methyl-1-phenyl-N-propylpropan-2-amine (PubChem CID 524959) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-propylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-propylpropan-2-amine
PubChem CID524959
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-methyl-1-phenyl-N-propylpropan-2-amine
SMILESCCCN(C)C(C)Cc1ccccc1
InChIInChI=1S/C13H21N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3
InChIKeyNJRKFGIEJVKUHP-UHFFFAOYSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-propylpropan-2-amine?
The IUPAC name of N-methyl-1-phenyl-N-propylpropan-2-amine (CID 524959) is N-methyl-1-phenyl-N-propylpropan-2-amine.
What is the SMILES notation for N-methyl-1-phenyl-N-propylpropan-2-amine?
The canonical SMILES for N-methyl-1-phenyl-N-propylpropan-2-amine is CCCN(C)C(C)Cc1ccccc1.
What is the InChIKey of N-methyl-1-phenyl-N-propylpropan-2-amine?
The InChIKey is NJRKFGIEJVKUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3.
What are the key properties of N-methyl-1-phenyl-N-propylpropan-2-amine?
N-methyl-1-phenyl-N-propylpropan-2-amine has a molecular weight of 191.32 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-propylpropan-2-amine is sourced from PubChem (CID 524959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).