N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine

C20H25N — CID 114602617

IUPACN-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)c1cccc(C2CCC2)c1
InChIInChI=1S/C20H25N/c1-3-21-20(17-12-10-15(2)11-13-17)19-9-5-8-18(14-19)16-6-4-7-16/h5,8-14,16,20-21H,3-4,6-7H2,1-2H3
InChIKeyBZCQZERCXOCZCO-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.96
Rot. Bonds5

About N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine

N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine (PubChem CID 114602617) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine
PubChem CID114602617
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1)c1cccc(C2CCC2)c1
InChIInChI=1S/C20H25N/c1-3-21-20(17-12-10-15(2)11-13-17)19-9-5-8-18(14-19)16-6-4-7-16/h5,8-14,16,20-21H,3-4,6-7H2,1-2H3
InChIKeyBZCQZERCXOCZCO-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-cyclobutylphenyl)-N-ethylethanamine
CID 114602707
N-[(5-chlorofuran-2-yl)-(3-cyclobutylphenyl)methyl]ethanamine
CID 106693362
N-[(3-cyclobutylphenyl)-(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 105189609
N-[(3-cyclobutylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 114603414
N-[(4-methylphenyl)-phenylmethyl]ethanamine
CID 43389847
1-(3-cyclobutylphenyl)-N-ethyl-2-propylpentan-1-amine
CID 105053791
N-[(3-cyclobutylphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191450
1-(3-cyclobutylphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105053655
1-(3-cyclobutylphenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 114603052
[(3-cyclobutylphenyl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105342013
1-(3-cyclobutylphenyl)-2,2-diethoxy-N-ethylethanamine
CID 114603906
1-(4-chloro-3-methylphenyl)-1-(3-cyclobutylphenyl)-N-methylmethanamine
CID 105053787

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine (CID 114602617) is N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine is CCNC(c1ccc(C)cc1)c1cccc(C2CCC2)c1.
What is the InChIKey of N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine?
The InChIKey is BZCQZERCXOCZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-3-21-20(17-12-10-15(2)11-13-17)19-9-5-8-18(14-19)16-6-4-7-16/h5,8-14,16,20-21H,3-4,6-7H2,1-2H3.
What are the key properties of N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine?
N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine has a molecular weight of 279.43 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclobutylphenyl)-(4-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 114602617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).