N,N-dimethyl-1-[2-(3-propan-2-ylphenyl)phenyl]methanamine;hydrochloride

C18H24ClN — CID 139942773

IUPACN,N-dimethyl-1-[2-(3-propan-2-ylphenyl)phenyl]methanamine;hydrochloride
SMILESCC(C)c1cccc(-c2ccccc2CN(C)C)c1.Cl
InChIInChI=1S/C18H23N.ClH/c1-14(2)15-9-7-10-16(12-15)18-11-6-5-8-17(18)13-19(3)4;/h5-12,14H,13H2,1-4H3;1H
InChIKeyOVIUJQQOELMHRS-UHFFFAOYSA-N
MW289.85 g/mol
LogP4.96
Rot. Bonds4

About N,N-dimethyl-1-[2-(3-propan-2-ylphenyl)phenyl]methanamine;hydrochloride

N,N-dimethyl-1-[2-(3-propan-2-ylphenyl)phenyl]methanamine;hydrochloride (PubChem CID 139942773) has the molecular formula C18H24ClN and a molecular weight of 289.85 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(3-propan-2-ylphenyl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(3-propan-2-ylphenyl)phenyl]methanamine;hydrochloride
PubChem CID139942773
Molecular FormulaC18H24ClN
Molecular Weight289.85 g/mol
Exact Mass289.16
IUPAC NameN,N-dimethyl-1-[2-(3-propan-2-ylphenyl)phenyl]methanamine;hydrochloride
SMILESCC(C)c1cccc(-c2ccccc2CN(C)C)c1.Cl
InChIInChI=1S/C18H23N.ClH/c1-14(2)15-9-7-10-16(12-15)18-11-6-5-8-17(18)13-19(3)4;/h5-12,14H,13H2,1-4H3;1H
InChIKeyOVIUJQQOELMHRS-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 54.96
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-[2-(3-propan-2-ylphenyl)phenyl]methanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-[2-(3-propan-2-ylphenyl)phenyl]methanamine;hydrochloride (CID 139942773) is N,N-dimethyl-1-[2-(3-propan-2-ylphenyl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-[2-(3-propan-2-ylphenyl)phenyl]methanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-[2-(3-propan-2-ylphenyl)phenyl]methanamine;hydrochloride is CC(C)c1cccc(-c2ccccc2CN(C)C)c1.Cl.
What is the InChIKey of N,N-dimethyl-1-[2-(3-propan-2-ylphenyl)phenyl]methanamine;hydrochloride?
The InChIKey is OVIUJQQOELMHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N.ClH/c1-14(2)15-9-7-10-16(12-15)18-11-6-5-8-17(18)13-19(3)4;/h5-12,14H,13H2,1-4H3;1H.
What are the key properties of N,N-dimethyl-1-[2-(3-propan-2-ylphenyl)phenyl]methanamine;hydrochloride?
N,N-dimethyl-1-[2-(3-propan-2-ylphenyl)phenyl]methanamine;hydrochloride has a molecular weight of 289.85 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(3-propan-2-ylphenyl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 139942773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).