N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine

C20H27N — CID 106899436

IUPACN-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(C)NCc2ccc(CC)cc2)cc1
InChIInChI=1S/C20H27N/c1-4-6-18-11-13-20(14-12-18)16(3)21-15-19-9-7-17(5-2)8-10-19/h7-14,16,21H,4-6,15H2,1-3H3
InChIKeyNVQHBYILXZDBPP-UHFFFAOYSA-N
MW281.44 g/mol
LogP5.05
Rot. Bonds7

About N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine

N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine (PubChem CID 106899436) has the molecular formula C20H27N and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
PubChem CID106899436
Molecular FormulaC20H27N
Molecular Weight281.44 g/mol
Exact Mass281.21
IUPAC NameN-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine
SMILESCCCc1ccc(C(C)NCc2ccc(CC)cc2)cc1
InChIInChI=1S/C20H27N/c1-4-6-18-11-13-20(14-12-18)16(3)21-15-19-9-7-17(5-2)8-10-19/h7-14,16,21H,4-6,15H2,1-3H3
InChIKeyNVQHBYILXZDBPP-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.44
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
methyl 4-[[1-(4-ethylphenyl)ethylamino]methyl]benzoate
CID 119137995
1-(4-butylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 43204866
N-[(2,4-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 62049142
N-[(2,5-difluorophenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 62048772
(2R)-1-[1-(4-propylphenyl)ethylamino]propan-2-ol
CID 103906705
2-[[(1S)-1-(4-propylphenyl)ethyl]amino]acetamide
CID 30045539
N-[(3,4-dichlorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43221490

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine (CID 106899436) is N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine is CCCc1ccc(C(C)NCc2ccc(CC)cc2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine?
The InChIKey is NVQHBYILXZDBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N/c1-4-6-18-11-13-20(14-12-18)16(3)21-15-19-9-7-17(5-2)8-10-19/h7-14,16,21H,4-6,15H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine?
N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine has a molecular weight of 281.44 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1-(4-propylphenyl)ethanamine is sourced from PubChem (CID 106899436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).