1-[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]-N-methylmethanamine

C19H25N — CID 172876657

IUPAC1-[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1c(C)cc(-c2cccc(C(C)C)c2)cc1C
InChIInChI=1S/C19H25N/c1-13(2)16-7-6-8-17(11-16)18-9-14(3)19(12-20-5)15(4)10-18/h6-11,13,20H,12H2,1-5H3
InChIKeyNLOKIETYNUBVAO-UHFFFAOYSA-N
MW267.42 g/mol
LogP4.81
Rot. Bonds4

About 1-[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]-N-methylmethanamine

1-[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]-N-methylmethanamine (PubChem CID 172876657) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]-N-methylmethanamine
PubChem CID172876657
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name1-[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]-N-methylmethanamine
SMILESCNCc1c(C)cc(-c2cccc(C(C)C)c2)cc1C
InChIInChI=1S/C19H25N/c1-13(2)16-7-6-8-17(11-16)18-9-14(3)19(12-20-5)15(4)10-18/h6-11,13,20H,12H2,1-5H3
InChIKeyNLOKIETYNUBVAO-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]methanol
CID 172876842
1-[4-(3,4-difluorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine
CID 172876693
2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene
CID 163504476
1-[4-(4-chlorophenyl)-2,6-dimethylphenyl]-N-methylmethanamine;hydrochloride
CID 172876680
2-fluoro-3-methyl-5-(3-propan-2-ylphenyl)pyridine
CID 67679272
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739
2-methyl-5-(3-propan-2-ylphenyl)benzaldehyde
CID 175665650
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylmethanamine
CID 61034041
N-methyl-1-[3-methyl-4-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63550870
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 63424535
1-methoxy-3-(3-propan-2-ylphenyl)benzene
CID 23110868
2-methyl-6-(3-propan-2-ylphenyl)aniline
CID 172649943

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]-N-methylmethanamine (CID 172876657) is 1-[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]-N-methylmethanamine is CNCc1c(C)cc(-c2cccc(C(C)C)c2)cc1C.
What is the InChIKey of 1-[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]-N-methylmethanamine?
The InChIKey is NLOKIETYNUBVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-13(2)16-7-6-8-17(11-16)18-9-14(3)19(12-20-5)15(4)10-18/h6-11,13,20H,12H2,1-5H3.
What are the key properties of 1-[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]-N-methylmethanamine?
1-[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]-N-methylmethanamine has a molecular weight of 267.42 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dimethyl-4-(3-propan-2-ylphenyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 172876657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).