N-ethyl-2-methoxy-4-[(2R)-3-(2-methoxyethylamino)-2-methylpropyl]aniline

C16H28N2O2 — CID 134443991

IUPACN-ethyl-2-methoxy-4-[(2R)-3-(2-methoxyethylamino)-2-methylpropyl]aniline
SMILESCCNc1ccc(C[C@@H](C)CNCCOC)cc1OC
InChIInChI=1S/C16H28N2O2/c1-5-18-15-7-6-14(11-16(15)20-4)10-13(2)12-17-8-9-19-3/h6-7,11,13,17-18H,5,8-10,12H2,1-4H3/t13-/m1/s1
InChIKeySVJMEZWKIOVCHD-CYBMUJFWSA-N
MW280.41 g/mol
LogP2.54
Rot. Bonds10

About N-ethyl-2-methoxy-4-[(2R)-3-(2-methoxyethylamino)-2-methylpropyl]aniline

N-ethyl-2-methoxy-4-[(2R)-3-(2-methoxyethylamino)-2-methylpropyl]aniline (PubChem CID 134443991) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is N-ethyl-2-methoxy-4-[(2R)-3-(2-methoxyethylamino)-2-methylpropyl]aniline.

Molecular Properties

Compound NameN-ethyl-2-methoxy-4-[(2R)-3-(2-methoxyethylamino)-2-methylpropyl]aniline
PubChem CID134443991
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC NameN-ethyl-2-methoxy-4-[(2R)-3-(2-methoxyethylamino)-2-methylpropyl]aniline
SMILESCCNc1ccc(C[C@@H](C)CNCCOC)cc1OC
InChIInChI=1S/C16H28N2O2/c1-5-18-15-7-6-14(11-16(15)20-4)10-13(2)12-17-8-9-19-3/h6-7,11,13,17-18H,5,8-10,12H2,1-4H3/t13-/m1/s1
InChIKeySVJMEZWKIOVCHD-CYBMUJFWSA-N
XLogP2.54
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dimethoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 116811094
3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 64665230
2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
CID 79445775
2-methoxy-N-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]ethanamine
CID 39366584
N-[(2R)-3-(3,4-dimethoxyphenyl)-2-methylpropyl]acetamide
CID 97249003
3-(2-fluoro-4-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 103396765
3-(2-bromo-5-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65327170
2-[2-methoxy-4-[(2-methoxyethylamino)methyl]phenoxy]propanamide
CID 63055739
N-(2-methoxyethyl)-2-(4-propylphenoxy)propan-1-amine
CID 62584394
2-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 62720263
N-[[4-(2-ethylbutoxy)-3-methoxyphenyl]methyl]-2-methoxyethanamine
CID 82927600
2-[2-methoxy-5-[(2-methoxyethylamino)methyl]phenoxy]-N-methylpropanamide
CID 63057446

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-4-[(2R)-3-(2-methoxyethylamino)-2-methylpropyl]aniline?
The IUPAC name of N-ethyl-2-methoxy-4-[(2R)-3-(2-methoxyethylamino)-2-methylpropyl]aniline (CID 134443991) is N-ethyl-2-methoxy-4-[(2R)-3-(2-methoxyethylamino)-2-methylpropyl]aniline.
What is the SMILES notation for N-ethyl-2-methoxy-4-[(2R)-3-(2-methoxyethylamino)-2-methylpropyl]aniline?
The canonical SMILES for N-ethyl-2-methoxy-4-[(2R)-3-(2-methoxyethylamino)-2-methylpropyl]aniline is CCNc1ccc(C[C@@H](C)CNCCOC)cc1OC.
What is the InChIKey of N-ethyl-2-methoxy-4-[(2R)-3-(2-methoxyethylamino)-2-methylpropyl]aniline?
The InChIKey is SVJMEZWKIOVCHD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-18-15-7-6-14(11-16(15)20-4)10-13(2)12-17-8-9-19-3/h6-7,11,13,17-18H,5,8-10,12H2,1-4H3/t13-/m1/s1.
What are the key properties of N-ethyl-2-methoxy-4-[(2R)-3-(2-methoxyethylamino)-2-methylpropyl]aniline?
N-ethyl-2-methoxy-4-[(2R)-3-(2-methoxyethylamino)-2-methylpropyl]aniline has a molecular weight of 280.41 g/mol, XLogP of 2.54, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-4-[(2R)-3-(2-methoxyethylamino)-2-methylpropyl]aniline is sourced from PubChem (CID 134443991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).