N-[[1-(3-methoxy-4-methylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine

C19H31NO — CID 65010957

IUPACN-[[1-(3-methoxy-4-methylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine
SMILESCCCC1CC(CNC(C)C)(c2ccc(C)c(OC)c2)C1
InChIInChI=1S/C19H31NO/c1-6-7-16-11-19(12-16,13-20-14(2)3)17-9-8-15(4)18(10-17)21-5/h8-10,14,16,20H,6-7,11-13H2,1-5H3
InChIKeyUMEQBJZTWXXEGG-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.45
Rot. Bonds7

About N-[[1-(3-methoxy-4-methylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine

N-[[1-(3-methoxy-4-methylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine (PubChem CID 65010957) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[[1-(3-methoxy-4-methylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(3-methoxy-4-methylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine
PubChem CID65010957
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[[1-(3-methoxy-4-methylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine
SMILESCCCC1CC(CNC(C)C)(c2ccc(C)c(OC)c2)C1
InChIInChI=1S/C19H31NO/c1-6-7-16-11-19(12-16,13-20-14(2)3)17-9-8-15(4)18(10-17)21-5/h8-10,14,16,20H,6-7,11-13H2,1-5H3
InChIKeyUMEQBJZTWXXEGG-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3,5-dimethylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine
CID 65011194
N-[[4-(3-methoxy-4-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62596439
1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 64998176
N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 65010904
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]propan-2-amine
CID 62594582
N-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine
CID 62595893
N-[[1-(3-methoxyphenyl)-3-propylcyclobutyl]methyl]ethanamine
CID 65010847
N-[[1-(3,4-dimethylphenyl)cyclohexyl]methyl]propan-2-amine
CID 63511609
N-[[1-(4-methoxy-3-propan-2-ylphenyl)cyclopropyl]methyl]propan-2-amine
CID 112519339
N-[[1-(4-ethoxy-3-methylphenyl)cyclopropyl]methyl]propan-2-amine
CID 112518586
N-[[1-(4-ethoxyphenyl)-3-ethylcyclobutyl]methyl]propan-2-amine
CID 64997706
N-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine
CID 65003229

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxy-4-methylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(3-methoxy-4-methylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine (CID 65010957) is N-[[1-(3-methoxy-4-methylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(3-methoxy-4-methylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(3-methoxy-4-methylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine is CCCC1CC(CNC(C)C)(c2ccc(C)c(OC)c2)C1.
What is the InChIKey of N-[[1-(3-methoxy-4-methylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine?
The InChIKey is UMEQBJZTWXXEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-6-7-16-11-19(12-16,13-20-14(2)3)17-9-8-15(4)18(10-17)21-5/h8-10,14,16,20H,6-7,11-13H2,1-5H3.
What are the key properties of N-[[1-(3-methoxy-4-methylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine?
N-[[1-(3-methoxy-4-methylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxy-4-methylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 65010957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).