N-benzyl-1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride

C18H24ClNO — CID 164613894

IUPACN-benzyl-1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride
SMILESCc1cccc(C)c1OCC(C)NCc1ccccc1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-14-8-7-9-15(2)18(14)20-13-16(3)19-12-17-10-5-4-6-11-17;/h4-11,16,19H,12-13H2,1-3H3;1H
InChIKeyKPVFZVDPKIZBDF-UHFFFAOYSA-N
MW305.85 g/mol
LogP4.28
Rot. Bonds6

About N-benzyl-1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride

N-benzyl-1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride (PubChem CID 164613894) has the molecular formula C18H24ClNO and a molecular weight of 305.85 g/mol. Its IUPAC name is N-benzyl-1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-benzyl-1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride
PubChem CID164613894
Molecular FormulaC18H24ClNO
Molecular Weight305.85 g/mol
Exact Mass305.15
IUPAC NameN-benzyl-1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride
SMILESCc1cccc(C)c1OCC(C)NCc1ccccc1.Cl
InChIInChI=1S/C18H23NO.ClH/c1-14-8-7-9-15(2)18(14)20-13-16(3)19-12-17-10-5-4-6-11-17;/h4-11,16,19H,12-13H2,1-3H3;1H
InChIKeyKPVFZVDPKIZBDF-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride?
The IUPAC name of N-benzyl-1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride (CID 164613894) is N-benzyl-1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride.
What is the SMILES notation for N-benzyl-1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride?
The canonical SMILES for N-benzyl-1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride is Cc1cccc(C)c1OCC(C)NCc1ccccc1.Cl.
What is the InChIKey of N-benzyl-1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride?
The InChIKey is KPVFZVDPKIZBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO.ClH/c1-14-8-7-9-15(2)18(14)20-13-16(3)19-12-17-10-5-4-6-11-17;/h4-11,16,19H,12-13H2,1-3H3;1H.
What are the key properties of N-benzyl-1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride?
N-benzyl-1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride has a molecular weight of 305.85 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,6-dimethylphenoxy)propan-2-amine;hydrochloride is sourced from PubChem (CID 164613894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).