N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine

C19H25NO — CID 63486581

IUPACN-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)ccc1OCCc1ccccc1
InChIInChI=1S/C19H25NO/c1-3-12-20-15-18-14-16(2)9-10-19(18)21-13-11-17-7-5-4-6-8-17/h4-10,14,20H,3,11-13,15H2,1-2H3
InChIKeyAABFSVBITPEIJD-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.12
Rot. Bonds8

About N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine

N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine (PubChem CID 63486581) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine
PubChem CID63486581
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC NameN-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(C)ccc1OCCc1ccccc1
InChIInChI=1S/C19H25NO/c1-3-12-20-15-18-14-16(2)9-10-19(18)21-13-11-17-7-5-4-6-8-17/h4-10,14,20H,3,11-13,15H2,1-2H3
InChIKeyAABFSVBITPEIJD-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2-fluoroethoxy)-5-methylphenyl]methyl]propan-1-amine
CID 80699310
N-[[5-methyl-2-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 102999785
N-[[2-(2-ethoxyethoxy)-5-methylphenyl]methyl]propan-1-amine
CID 63323300
N-[[2-[2-(diethylamino)ethoxy]-5-methylphenyl]methyl]propan-1-amine
CID 63323050
N-[(5-methyl-2-propoxyphenyl)methyl]butan-1-amine
CID 97179196
N-[[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]methyl]propan-1-amine
CID 63485880
N-[[5-methyl-2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 114527230
N-[[2-[2-(3-methoxypropoxy)ethoxy]-5-methylphenyl]methyl]propan-1-amine
CID 103177793
N-[(5-methyl-2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 63323347
1-(4-methylphenyl)-N-[[2-(2-phenylethoxy)phenyl]methyl]methanamine
CID 54804431
N-[[5-bromo-2-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-1-amine
CID 63264975
N-methyl-1-(5-methyl-2-propoxyphenyl)methanamine
CID 63323239

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine (CID 63486581) is N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine is CCCNCc1cc(C)ccc1OCCc1ccccc1.
What is the InChIKey of N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is AABFSVBITPEIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-12-20-15-18-14-16(2)9-10-19(18)21-13-11-17-7-5-4-6-8-17/h4-10,14,20H,3,11-13,15H2,1-2H3.
What are the key properties of N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine?
N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 283.41 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-(2-phenylethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63486581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).