3-methyl-N-[2-(4-phenylphenoxy)ethyl]butan-2-amine

C19H25NO — CID 63517055

IUPAC3-methyl-N-[2-(4-phenylphenoxy)ethyl]butan-2-amine
SMILESCC(C)C(C)NCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-15(2)16(3)20-13-14-21-19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15-16,20H,13-14H2,1-3H3
InChIKeyNFEWHRQZVYRXAQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.37
Rot. Bonds7

About 3-methyl-N-[2-(4-phenylphenoxy)ethyl]butan-2-amine

3-methyl-N-[2-(4-phenylphenoxy)ethyl]butan-2-amine (PubChem CID 63517055) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-phenylphenoxy)ethyl]butan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(4-phenylphenoxy)ethyl]butan-2-amine
PubChem CID63517055
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-methyl-N-[2-(4-phenylphenoxy)ethyl]butan-2-amine
SMILESCC(C)C(C)NCCOc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H25NO/c1-15(2)16(3)20-13-14-21-19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15-16,20H,13-14H2,1-3H3
InChIKeyNFEWHRQZVYRXAQ-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[2-(4-phenylphenoxy)ethyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-difluoro-N-(2-phenoxyethyl)propan-2-amine
CID 102869382
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
2-methyl-3-(2-phenoxyethylamino)butanoic acid
CID 79391971
1-(4-methylpentoxy)-4-phenylbenzene
CID 19777688
1-iodo-3-methyl-N-(2-phenoxyethyl)butan-2-amine
CID 107859490
3-methyl-N-[2-(3-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 55088741
2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine
CID 112743218
3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 60690385
N-[2-(4-methylphenoxy)ethyl]propan-2-amine
CID 17178065
2,3-dimethyl-N-(2-phenoxyethyl)butan-1-amine
CID 64571109
(1S)-1-(4-methylphenyl)-N-(2-phenoxyethyl)ethanamine
CID 81357239
N',N'-dimethyl-N-[2-(4-phenylphenoxy)ethyl]ethane-1,2-diamine
CID 2966313

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-phenylphenoxy)ethyl]butan-2-amine?
The IUPAC name of 3-methyl-N-[2-(4-phenylphenoxy)ethyl]butan-2-amine (CID 63517055) is 3-methyl-N-[2-(4-phenylphenoxy)ethyl]butan-2-amine.
What is the SMILES notation for 3-methyl-N-[2-(4-phenylphenoxy)ethyl]butan-2-amine?
The canonical SMILES for 3-methyl-N-[2-(4-phenylphenoxy)ethyl]butan-2-amine is CC(C)C(C)NCCOc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-methyl-N-[2-(4-phenylphenoxy)ethyl]butan-2-amine?
The InChIKey is NFEWHRQZVYRXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15(2)16(3)20-13-14-21-19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15-16,20H,13-14H2,1-3H3.
What are the key properties of 3-methyl-N-[2-(4-phenylphenoxy)ethyl]butan-2-amine?
3-methyl-N-[2-(4-phenylphenoxy)ethyl]butan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-phenylphenoxy)ethyl]butan-2-amine is sourced from PubChem (CID 63517055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).