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

C11H18ClN — CID 17139087

IUPACN,N-dimethyl-1-phenylpropan-2-amine;hydrochloride
SMILESCC(Cc1ccccc1)N(C)C.Cl
InChIInChI=1S/C11H17N.ClH/c1-10(12(2)3)9-11-7-5-4-6-8-11;/h4-8,10H,9H2,1-3H3;1H
InChIKeyUTWYKDPIWNRKCN-UHFFFAOYSA-N
MW199.73 g/mol
LogP2.60
Rot. Bonds3

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

N,N-dimethyl-1-phenylpropan-2-amine;hydrochloride (PubChem CID 17139087) has the molecular formula C11H18ClN and a molecular weight of 199.73 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylpropan-2-amine;hydrochloride
PubChem CID17139087
Molecular FormulaC11H18ClN
Molecular Weight199.73 g/mol
Exact Mass199.11
IUPAC NameN,N-dimethyl-1-phenylpropan-2-amine;hydrochloride
SMILESCC(Cc1ccccc1)N(C)C.Cl
InChIInChI=1S/C11H17N.ClH/c1-10(12(2)3)9-11-7-5-4-6-8-11;/h4-8,10H,9H2,1-3H3;1H
InChIKeyUTWYKDPIWNRKCN-UHFFFAOYSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.73
LogP ≤ 52.60
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;hydrochloride?
The IUPAC name of N,N-dimethyl-1-phenylpropan-2-amine;hydrochloride (CID 17139087) is N,N-dimethyl-1-phenylpropan-2-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-phenylpropan-2-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-phenylpropan-2-amine;hydrochloride is CC(Cc1ccccc1)N(C)C.Cl.
What is the InChIKey of N,N-dimethyl-1-phenylpropan-2-amine;hydrochloride?
The InChIKey is UTWYKDPIWNRKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.ClH/c1-10(12(2)3)9-11-7-5-4-6-8-11;/h4-8,10H,9H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-1-phenylpropan-2-amine;hydrochloride?
N,N-dimethyl-1-phenylpropan-2-amine;hydrochloride has a molecular weight of 199.73 g/mol, XLogP of 2.60, 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;hydrochloride is sourced from PubChem (CID 17139087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).