N-ethyl-2-[4-[(2-methylphenoxy)methyl]phenyl]propan-1-amine

C19H25NO — CID 105350601

IUPACN-ethyl-2-[4-[(2-methylphenoxy)methyl]phenyl]propan-1-amine
SMILESCCNCC(C)c1ccc(COc2ccccc2C)cc1
InChIInChI=1S/C19H25NO/c1-4-20-13-16(3)18-11-9-17(10-12-18)14-21-19-8-6-5-7-15(19)2/h5-12,16,20H,4,13-14H2,1-3H3
InChIKeyZPIZQCBXKMPBLU-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.29
Rot. Bonds7

About N-ethyl-2-[4-[(2-methylphenoxy)methyl]phenyl]propan-1-amine

N-ethyl-2-[4-[(2-methylphenoxy)methyl]phenyl]propan-1-amine (PubChem CID 105350601) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is N-ethyl-2-[4-[(2-methylphenoxy)methyl]phenyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[4-[(2-methylphenoxy)methyl]phenyl]propan-1-amine
PubChem CID105350601
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC NameN-ethyl-2-[4-[(2-methylphenoxy)methyl]phenyl]propan-1-amine
SMILESCCNCC(C)c1ccc(COc2ccccc2C)cc1
InChIInChI=1S/C19H25NO/c1-4-20-13-16(3)18-11-9-17(10-12-18)14-21-19-8-6-5-7-15(19)2/h5-12,16,20H,4,13-14H2,1-3H3
InChIKeyZPIZQCBXKMPBLU-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(2-fluoro-3-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine
CID 107661159
N-[[4-[(2-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 62452911
N-[[3-[(2-methylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62452902
N-[[4-[(2,3-dimethylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62452788
2-[4-[[(E)-but-2-enoxy]methyl]phenyl]-N-ethylpropan-1-amine
CID 105348774
2-[4-[(4-bromo-2-methylphenoxy)methyl]phenyl]-N-methylpropan-1-amine
CID 105350906
1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene
CID 59416571
N-[[4-[(2-propan-2-ylphenoxy)methyl]phenyl]methyl]ethanamine
CID 62459431
N-methyl-2-[4-(phenoxymethyl)phenyl]propan-1-amine
CID 105350614
N-[[4-[1-(ethylamino)propan-2-yl]phenyl]methyl]-N-methylbutan-2-amine
CID 105346750
2-[4-(cyclopentylmethoxymethyl)phenyl]-N-ethylpropan-1-amine
CID 105351097
N-[2-[4-(butan-2-yloxymethyl)phenyl]propyl]-2-methylpropan-1-amine
CID 105350634

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[(2-methylphenoxy)methyl]phenyl]propan-1-amine?
The IUPAC name of N-ethyl-2-[4-[(2-methylphenoxy)methyl]phenyl]propan-1-amine (CID 105350601) is N-ethyl-2-[4-[(2-methylphenoxy)methyl]phenyl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-[4-[(2-methylphenoxy)methyl]phenyl]propan-1-amine?
The canonical SMILES for N-ethyl-2-[4-[(2-methylphenoxy)methyl]phenyl]propan-1-amine is CCNCC(C)c1ccc(COc2ccccc2C)cc1.
What is the InChIKey of N-ethyl-2-[4-[(2-methylphenoxy)methyl]phenyl]propan-1-amine?
The InChIKey is ZPIZQCBXKMPBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-20-13-16(3)18-11-9-17(10-12-18)14-21-19-8-6-5-7-15(19)2/h5-12,16,20H,4,13-14H2,1-3H3.
What are the key properties of N-ethyl-2-[4-[(2-methylphenoxy)methyl]phenyl]propan-1-amine?
N-ethyl-2-[4-[(2-methylphenoxy)methyl]phenyl]propan-1-amine has a molecular weight of 283.41 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[(2-methylphenoxy)methyl]phenyl]propan-1-amine is sourced from PubChem (CID 105350601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).