N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine

C20H27N — CID 60819207

IUPACN-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(C)c1)c1ccc(CC)cc1
InChIInChI=1S/C20H27N/c1-4-13-21-20(15-18-8-6-7-16(3)14-18)19-11-9-17(5-2)10-12-19/h6-12,14,20-21H,4-5,13,15H2,1-3H3
InChIKeyLIKDWBSCAWSSFP-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.84
Rot. Bonds7

About N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine

N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine (PubChem CID 60819207) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
PubChem CID60819207
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(C)c1)c1ccc(CC)cc1
InChIInChI=1S/C20H27N/c1-4-13-21-20(15-18-8-6-7-16(3)14-18)19-11-9-17(5-2)10-12-19/h6-12,14,20-21H,4-5,13,15H2,1-3H3
InChIKeyLIKDWBSCAWSSFP-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60818106
N-[1-(4-methoxyphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60798724
N-[1-(3,4-dichlorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63414967
N-[1-(4-methylphenyl)-2-phenylethyl]propan-1-amine
CID 43495145
N-[1-(2,6-difluorophenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63526394
N-[2-(3-bromophenyl)-1-(4-bromophenyl)ethyl]propan-1-amine
CID 60817937
N-[1-(2-fluoro-5-methylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 63415224
N-[2-(4-methylphenyl)-1-phenylethyl]propan-1-amine
CID 43494855
N-[1-(3-methylfuran-2-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 62387853
N-[1-(2-methoxyphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 60799288
N-ethyl-1-(4-methoxyphenyl)-2-(3-methylphenyl)ethanamine
CID 60798862
N-[2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43494996

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine (CID 60819207) is N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine is CCCNC(Cc1cccc(C)c1)c1ccc(CC)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine?
The InChIKey is LIKDWBSCAWSSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-13-21-20(15-18-8-6-7-16(3)14-18)19-11-9-17(5-2)10-12-19/h6-12,14,20-21H,4-5,13,15H2,1-3H3.
What are the key properties of N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine?
N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)-2-(3-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 60819207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).