N-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine

C20H25N — CID 63417836

IUPACN-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1C)C1(c2ccccc2)CC1
InChIInChI=1S/C20H25N/c1-4-21-19(18-11-10-15(2)14-16(18)3)20(12-13-20)17-8-6-5-7-9-17/h5-11,14,19,21H,4,12-13H2,1-3H3
InChIKeyHTVPNYICLAOUCQ-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.69
Rot. Bonds5

About N-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine

N-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine (PubChem CID 63417836) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine
PubChem CID63417836
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC NameN-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1C)C1(c2ccccc2)CC1
InChIInChI=1S/C20H25N/c1-4-21-19(18-11-10-15(2)14-16(18)3)20(12-13-20)17-8-6-5-7-9-17/h5-11,14,19,21H,4,12-13H2,1-3H3
InChIKeyHTVPNYICLAOUCQ-UHFFFAOYSA-N
XLogP4.69
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 ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-methyl-3-pyridinyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 115374513
N-[(3-fluoro-4-methylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 107128711
N-[(2,3-dichlorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 63417837
N-[(5-bromo-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 79991864
(2,4-dimethylphenyl)-(1-phenylcyclopentyl)methanamine
CID 63418067
N-[[1-(4-chlorophenyl)cyclobutyl]-(2-methylphenyl)methyl]ethanamine
CID 143871078
N-[(5-methylthiophen-2-yl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 55128692
N-[(3-bromo-2-fluorophenyl)-(1-phenylcyclopropyl)methyl]ethanamine
CID 106645549
N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine
CID 116764056
N-[(4-bromothiophen-3-yl)-(1-phenylcyclopentyl)methyl]ethanamine
CID 79590126
[(2-methylphenyl)-(1-phenylcyclopropyl)methyl]hydrazine
CID 105217005
2-(2,5-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanol
CID 63017736

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine (CID 63417836) is N-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine is CCNC(c1ccc(C)cc1C)C1(c2ccccc2)CC1.
What is the InChIKey of N-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine?
The InChIKey is HTVPNYICLAOUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-4-21-19(18-11-10-15(2)14-16(18)3)20(12-13-20)17-8-6-5-7-9-17/h5-11,14,19,21H,4,12-13H2,1-3H3.
What are the key properties of N-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine?
N-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine has a molecular weight of 279.43 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)-(1-phenylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 63417836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).