N-[[5-[(2-ethoxyethylamino)methyl]-2-phenylphenyl]methyl]-3-methylbutan-1-amine

C23H34N2O — CID 142601143

IUPACN-[[5-[(2-ethoxyethylamino)methyl]-2-phenylphenyl]methyl]-3-methylbutan-1-amine
SMILESCCOCCNCc1ccc(-c2ccccc2)c(CNCCC(C)C)c1
InChIInChI=1S/C23H34N2O/c1-4-26-15-14-25-17-20-10-11-23(21-8-6-5-7-9-21)22(16-20)18-24-13-12-19(2)3/h5-11,16,19,24-25H,4,12-15,17-18H2,1-3H3
InChIKeyRLPGUEKRZXZBOJ-UHFFFAOYSA-N
MW354.54 g/mol
LogP4.62
Rot. Bonds12

About N-[[5-[(2-ethoxyethylamino)methyl]-2-phenylphenyl]methyl]-3-methylbutan-1-amine

N-[[5-[(2-ethoxyethylamino)methyl]-2-phenylphenyl]methyl]-3-methylbutan-1-amine (PubChem CID 142601143) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is N-[[5-[(2-ethoxyethylamino)methyl]-2-phenylphenyl]methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[5-[(2-ethoxyethylamino)methyl]-2-phenylphenyl]methyl]-3-methylbutan-1-amine
PubChem CID142601143
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC NameN-[[5-[(2-ethoxyethylamino)methyl]-2-phenylphenyl]methyl]-3-methylbutan-1-amine
SMILESCCOCCNCc1ccc(-c2ccccc2)c(CNCCC(C)C)c1
InChIInChI=1S/C23H34N2O/c1-4-26-15-14-25-17-20-10-11-23(21-8-6-5-7-9-21)22(16-20)18-24-13-12-19(2)3/h5-11,16,19,24-25H,4,12-15,17-18H2,1-3H3
InChIKeyRLPGUEKRZXZBOJ-UHFFFAOYSA-N
XLogP4.62
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride
CID 17206786
methoxyethane;3-methyl-N-(2-phenylmethoxyethyl)butan-1-amine
CID 171818931
2-ethoxy-N-[(4-ethylphenyl)methyl]ethanamine
CID 43590757
2-[4-[(3-methylbutylamino)methyl]phenoxy]ethanol
CID 17210721
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 17206743
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 61483916
2-[2-[(4,5-dimethoxy-2-phenylphenyl)methylamino]ethoxy]ethanol
CID 119111857
N-benzyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106450220
2-[2-[(3-phenylphenyl)methylamino]ethoxy]ethanol
CID 110929290
2-bromo-4-[(2-ethoxyethylamino)methyl]phenol
CID 60956459
4-[(2-ethoxyethylamino)methyl]-2-fluorobenzoic acid
CID 106699446
N-[(3,4-dichlorophenyl)methyl]-3-methylbutan-1-amine
CID 17206875

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-ethoxyethylamino)methyl]-2-phenylphenyl]methyl]-3-methylbutan-1-amine?
The IUPAC name of N-[[5-[(2-ethoxyethylamino)methyl]-2-phenylphenyl]methyl]-3-methylbutan-1-amine (CID 142601143) is N-[[5-[(2-ethoxyethylamino)methyl]-2-phenylphenyl]methyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[[5-[(2-ethoxyethylamino)methyl]-2-phenylphenyl]methyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[[5-[(2-ethoxyethylamino)methyl]-2-phenylphenyl]methyl]-3-methylbutan-1-amine is CCOCCNCc1ccc(-c2ccccc2)c(CNCCC(C)C)c1.
What is the InChIKey of N-[[5-[(2-ethoxyethylamino)methyl]-2-phenylphenyl]methyl]-3-methylbutan-1-amine?
The InChIKey is RLPGUEKRZXZBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-4-26-15-14-25-17-20-10-11-23(21-8-6-5-7-9-21)22(16-20)18-24-13-12-19(2)3/h5-11,16,19,24-25H,4,12-15,17-18H2,1-3H3.
What are the key properties of N-[[5-[(2-ethoxyethylamino)methyl]-2-phenylphenyl]methyl]-3-methylbutan-1-amine?
N-[[5-[(2-ethoxyethylamino)methyl]-2-phenylphenyl]methyl]-3-methylbutan-1-amine has a molecular weight of 354.54 g/mol, XLogP of 4.62, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-ethoxyethylamino)methyl]-2-phenylphenyl]methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 142601143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).