N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine

C20H27N — CID 43495516

IUPACN-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)cc1)c1ccc(C)cc1C
InChIInChI=1S/C20H27N/c1-5-13-21-20(18-10-8-17(6-2)9-11-18)19-12-7-15(3)14-16(19)4/h7-12,14,20-21H,5-6,13H2,1-4H3
InChIKeyYMEGINDADFSPCY-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.95
Rot. Bonds6

About N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine

N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine (PubChem CID 43495516) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine
PubChem CID43495516
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(CC)cc1)c1ccc(C)cc1C
InChIInChI=1S/C20H27N/c1-5-13-21-20(18-10-8-17(6-2)9-11-18)19-12-7-15(3)14-16(19)4/h7-12,14,20-21H,5-6,13H2,1-4H3
InChIKeyYMEGINDADFSPCY-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]ethanamine
CID 43489966
N-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495535
N-[(3-chloro-4-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 63418754
N-[(5-chloro-2-methylphenyl)-(4-ethylphenyl)methyl]propan-1-amine
CID 82871484
N-[(2,4-dimethylphenyl)-(5-methylthiophen-3-yl)methyl]propan-1-amine
CID 104991554
N-[(2,6-dimethyl-3-pyridinyl)-(4-ethylphenyl)methyl]propan-1-amine
CID 115604781
N-[(2,4-dimethylphenyl)-pyridazin-4-ylmethyl]propan-1-amine
CID 105145275
N-[(3-bromo-5-fluorophenyl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 43495490
N-[(2,4-dimethylphenyl)-(4-methylthiophen-3-yl)methyl]propan-1-amine
CID 79801999
N-[(2-chloro-4-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 106857492
N-[(4-ethylphenyl)-phenylmethyl]propan-1-amine
CID 43494878
N-[(3-fluoro-5-methylphenyl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81273573

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine (CID 43495516) is N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine is CCCNC(c1ccc(CC)cc1)c1ccc(C)cc1C.
What is the InChIKey of N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine?
The InChIKey is YMEGINDADFSPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-5-13-21-20(18-10-8-17(6-2)9-11-18)19-12-7-15(3)14-16(19)4/h7-12,14,20-21H,5-6,13H2,1-4H3.
What are the key properties of N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine?
N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)-(4-ethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43495516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).