N-methyl-1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]methanamine

C18H23NO — CID 105409209

IUPACN-methyl-1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]methanamine
SMILESCNCc1ccc(C)c(-c2cccc(OC(C)C)c2)c1
InChIInChI=1S/C18H23NO/c1-13(2)20-17-7-5-6-16(11-17)18-10-15(12-19-4)9-8-14(18)3/h5-11,13,19H,12H2,1-4H3
InChIKeyTYDYKQWSHPIMKV-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.17
Rot. Bonds5

About N-methyl-1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]methanamine

N-methyl-1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]methanamine (PubChem CID 105409209) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]methanamine
PubChem CID105409209
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-methyl-1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]methanamine
SMILESCNCc1ccc(C)c(-c2cccc(OC(C)C)c2)c1
InChIInChI=1S/C18H23NO/c1-13(2)20-17-7-5-6-16(11-17)18-10-15(12-19-4)9-8-14(18)3/h5-11,13,19H,12H2,1-4H3
InChIKeyTYDYKQWSHPIMKV-UHFFFAOYSA-N
XLogP4.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[4-methyl-3-(3-propylphenyl)phenyl]methanamine
CID 105409508
1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]ethanone
CID 172649649
N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine
CID 105408477
[4-methyl-3-(4-propan-2-yloxyphenyl)phenyl]methanamine
CID 82120361
N-methyl-1-[3-methyl-4-(3-methylphenyl)phenyl]methanamine
CID 66480423
1-[3-(4-chloro-3-methoxyphenyl)-4-methylphenyl]-N-methylmethanamine
CID 105409070
1-[3-(1,3-difluoropropan-2-yloxy)phenyl]-N-methylmethanamine
CID 142399643
N-methyl-1-(4-methyl-3-naphthalen-1-ylphenyl)methanamine
CID 105408323
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
1-[3-[4-(difluoromethylsulfanyl)phenyl]-4-methylphenyl]-N-methylmethanamine
CID 105408442
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylmethanamine
CID 61034041
1-[3-(2-fluorophenyl)-4-methylphenyl]-N-methylmethanamine
CID 105408607

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]methanamine (CID 105409209) is N-methyl-1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]methanamine is CNCc1ccc(C)c(-c2cccc(OC(C)C)c2)c1.
What is the InChIKey of N-methyl-1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]methanamine?
The InChIKey is TYDYKQWSHPIMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-13(2)20-17-7-5-6-16(11-17)18-10-15(12-19-4)9-8-14(18)3/h5-11,13,19H,12H2,1-4H3.
What are the key properties of N-methyl-1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]methanamine?
N-methyl-1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]methanamine has a molecular weight of 269.39 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-3-(3-propan-2-yloxyphenyl)phenyl]methanamine is sourced from PubChem (CID 105409209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).