N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine

C19H25NO — CID 82353063

IUPACN-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine
SMILESCC(C)c1ccc(COCCNCc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-16(2)19-10-8-18(9-11-19)15-21-13-12-20-14-17-6-4-3-5-7-17/h3-11,16,20H,12-15H2,1-2H3
InChIKeyCJISRYYRBFHVDO-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.12
Rot. Bonds8

About N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine

N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine (PubChem CID 82353063) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine.

Molecular Properties

Compound NameN-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine
PubChem CID82353063
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC NameN-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine
SMILESCC(C)c1ccc(COCCNCc2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-16(2)19-10-8-18(9-11-19)15-21-13-12-20-14-17-6-4-3-5-7-17/h3-11,16,20H,12-15H2,1-2H3
InChIKeyCJISRYYRBFHVDO-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

2-(2-chloroethoxy)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 65023956
N-[2-[2-[2-[(4-propan-2-ylphenyl)methylamino]ethoxy]ethoxy]ethyl]propan-2-amine
CID 170953319
2-chloro-2-phenyl-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 65026294
N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450220
N'-[(1R)-1-phenylethyl]-N-(2-phenylmethoxyethyl)ethane-1,2-diamine
CID 11850166
2-[2-(benzylamino)ethoxy]-N-ethylethanamine
CID 18338934
2-(benzylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897047
azane;N-benzyl-2-propan-2-yloxyethanamine
CID 68981527
2-fluoro-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 80695833
N'-benzyl-N-(2-propoxyethyl)ethane-1,2-diamine
CID 131209291
N-benzyl-2-[(2-fluorophenyl)methoxy]ethanamine
CID 63936379
1-[4-(2-phenylmethoxyethylamino)phenyl]ethanol
CID 54054142

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine?
The IUPAC name of N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine (CID 82353063) is N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine.
What is the SMILES notation for N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine?
The canonical SMILES for N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine is CC(C)c1ccc(COCCNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine?
The InChIKey is CJISRYYRBFHVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-16(2)19-10-8-18(9-11-19)15-21-13-12-20-14-17-6-4-3-5-7-17/h3-11,16,20H,12-15H2,1-2H3.
What are the key properties of N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine?
N-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine 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-benzyl-2-[(4-propan-2-ylphenyl)methoxy]ethanamine is sourced from PubChem (CID 82353063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).