N-[(2,4-dipropoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine

C22H31NO2 — CID 54807495

IUPACN-[(2,4-dipropoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCCCOc1ccc(CNCCc2ccccc2C)c(OCCC)c1
InChIInChI=1S/C22H31NO2/c1-4-14-24-21-11-10-20(22(16-21)25-15-5-2)17-23-13-12-19-9-7-6-8-18(19)3/h6-11,16,23H,4-5,12-15,17H2,1-3H3
InChIKeyMCIYYCQWKBLEPC-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.90
Rot. Bonds11

About N-[(2,4-dipropoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine

N-[(2,4-dipropoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine (PubChem CID 54807495) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[(2,4-dipropoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2,4-dipropoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine
PubChem CID54807495
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC NameN-[(2,4-dipropoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCCCOc1ccc(CNCCc2ccccc2C)c(OCCC)c1
InChIInChI=1S/C22H31NO2/c1-4-14-24-21-11-10-20(22(16-21)25-15-5-2)17-23-13-12-19-9-7-6-8-18(19)3/h6-11,16,23H,4-5,12-15,17H2,1-3H3
InChIKeyMCIYYCQWKBLEPC-UHFFFAOYSA-N
XLogP4.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2,4-bis(2-methylpropoxy)phenyl]methyl]-2-(2-methylphenyl)ethanamine
CID 54807638
1-[2,4-bis(3-methylbutoxy)phenyl]-N-[(2-methylphenyl)methyl]methanamine
CID 54803640
N-[(2-methoxy-4-propoxyphenyl)methyl]propan-1-amine
CID 43472507
N-[(2,4-dibutoxyphenyl)methyl]hexan-1-amine
CID 54805232
N-[[2,4-bis(3-phenylpropoxy)phenyl]methyl]-2-phenylethanamine
CID 54804846
N-[(2,4-dioctoxyphenyl)methyl]butan-1-amine
CID 54804875
N-[[2,4-bis(3-phenylpropoxy)phenyl]methyl]octan-1-amine
CID 54807874
N-[2-(2-methylphenyl)ethyl]-3-propoxyaniline
CID 54800496
N-[(2,4-dipropoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63062146
N-[(2-butoxynaphthalen-1-yl)methyl]-2-(2-methylphenyl)ethanamine
CID 54807924
N-[(2,4-dipentoxyphenyl)methyl]-1-phenylmethanamine
CID 54804142
N-[[2-(3-ethoxypropoxy)-4-propoxyphenyl]methyl]ethanamine
CID 65176071

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dipropoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-[(2,4-dipropoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine (CID 54807495) is N-[(2,4-dipropoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[(2,4-dipropoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[(2,4-dipropoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine is CCCOc1ccc(CNCCc2ccccc2C)c(OCCC)c1.
What is the InChIKey of N-[(2,4-dipropoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine?
The InChIKey is MCIYYCQWKBLEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-4-14-24-21-11-10-20(22(16-21)25-15-5-2)17-23-13-12-19-9-7-6-8-18(19)3/h6-11,16,23H,4-5,12-15,17H2,1-3H3.
What are the key properties of N-[(2,4-dipropoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine?
N-[(2,4-dipropoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine has a molecular weight of 341.50 g/mol, XLogP of 4.90, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dipropoxyphenyl)methyl]-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 54807495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).