N,N-dimethyl-1-phenylpropan-2-amine

C11H17N — CID 20006

IUPACN,N-dimethyl-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)N(C)C
InChIInChI=1S/C11H17N/c1-10(12(2)3)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyOBDSVYOSYSKVMX-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.18
Rot. Bonds3

About N,N-dimethyl-1-phenylpropan-2-amine

N,N-dimethyl-1-phenylpropan-2-amine (PubChem CID 20006) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylpropan-2-amine
PubChem CID20006
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN,N-dimethyl-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)N(C)C
InChIInChI=1S/C11H17N/c1-10(12(2)3)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyOBDSVYOSYSKVMX-UHFFFAOYSA-N
XLogP2.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylpropan-2-amine?
The IUPAC name of N,N-dimethyl-1-phenylpropan-2-amine (CID 20006) is N,N-dimethyl-1-phenylpropan-2-amine.
What is the SMILES notation for N,N-dimethyl-1-phenylpropan-2-amine?
The canonical SMILES for N,N-dimethyl-1-phenylpropan-2-amine is CC(Cc1ccccc1)N(C)C.
What is the InChIKey of N,N-dimethyl-1-phenylpropan-2-amine?
The InChIKey is OBDSVYOSYSKVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-10(12(2)3)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of N,N-dimethyl-1-phenylpropan-2-amine?
N,N-dimethyl-1-phenylpropan-2-amine has a molecular weight of 163.26 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylpropan-2-amine is sourced from PubChem (CID 20006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).