N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine

C16H27NO2 — CID 104845517

IUPACN-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine
SMILESCCNC(c1ccccc1)C(C)CCOCCOC
InChIInChI=1S/C16H27NO2/c1-4-17-16(15-8-6-5-7-9-15)14(2)10-11-19-13-12-18-3/h5-9,14,16-17H,4,10-13H2,1-3H3
InChIKeyQNXZSBHKYICNDB-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.03
Rot. Bonds10

About N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine

N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine (PubChem CID 104845517) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine
PubChem CID104845517
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine
SMILESCCNC(c1ccccc1)C(C)CCOCCOC
InChIInChI=1S/C16H27NO2/c1-4-17-16(15-8-6-5-7-9-15)14(2)10-11-19-13-12-18-3/h5-9,14,16-17H,4,10-13H2,1-3H3
InChIKeyQNXZSBHKYICNDB-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 104845499
1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044758
N-ethyl-2-methyl-1-phenylundecan-1-amine
CID 104845429
N-ethyl-4-methoxy-2-methyl-1-[4-(trifluoromethyl)phenyl]butan-1-amine
CID 105044213
N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine
CID 103413713
N-ethyl-4-(2-methoxyethoxy)-2-phenylbutan-1-amine
CID 65430591
1-(3,4-dimethylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044614
N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine
CID 103401642
N-ethyl-3-(2-methoxyethoxy)-1-(3-propan-2-yloxyphenyl)propan-1-amine
CID 102928428
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
N-ethyl-3-(2-methoxyethoxy)-1-[3-(2-methylpropyl)phenyl]propan-1-amine
CID 102928317
1-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1-phenylpropane-1,2-diamine
CID 62984847

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine?
The IUPAC name of N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine (CID 104845517) is N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine.
What is the SMILES notation for N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine?
The canonical SMILES for N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine is CCNC(c1ccccc1)C(C)CCOCCOC.
What is the InChIKey of N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine?
The InChIKey is QNXZSBHKYICNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-17-16(15-8-6-5-7-9-15)14(2)10-11-19-13-12-18-3/h5-9,14,16-17H,4,10-13H2,1-3H3.
What are the key properties of N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine?
N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methoxyethoxy)-2-methyl-1-phenylbutan-1-amine is sourced from PubChem (CID 104845517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).