2-methyl-4-(3-methylbutoxy)-1-phenylbutan-2-amine

C16H27NO — CID 114992850

IUPAC2-methyl-4-(3-methylbutoxy)-1-phenylbutan-2-amine
SMILESCC(C)CCOCCC(C)(N)Cc1ccccc1
InChIInChI=1S/C16H27NO/c1-14(2)9-11-18-12-10-16(3,17)13-15-7-5-4-6-8-15/h4-8,14H,9-13,17H2,1-3H3
InChIKeyMPFLVXLNGGCCNW-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.40
Rot. Bonds8

About 2-methyl-4-(3-methylbutoxy)-1-phenylbutan-2-amine

2-methyl-4-(3-methylbutoxy)-1-phenylbutan-2-amine (PubChem CID 114992850) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-methyl-4-(3-methylbutoxy)-1-phenylbutan-2-amine.

Molecular Properties

Compound Name2-methyl-4-(3-methylbutoxy)-1-phenylbutan-2-amine
PubChem CID114992850
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-methyl-4-(3-methylbutoxy)-1-phenylbutan-2-amine
SMILESCC(C)CCOCCC(C)(N)Cc1ccccc1
InChIInChI=1S/C16H27NO/c1-14(2)9-11-18-12-10-16(3,17)13-15-7-5-4-6-8-15/h4-8,14H,9-13,17H2,1-3H3
InChIKeyMPFLVXLNGGCCNW-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-4-(3-methylbutoxy)-1-phenylbutan-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

ethylbenzene;3-methyl-1-(3-methylbutoxy)butane
CID 67286495
[2-methyl-2-(3-methylbutoxy)propyl]benzene
CID 149129100
2-methyl-4-phenylmethoxybutane-1,2-diamine
CID 90114043
3-methyl-1-(3-methylbutoxy)butane;phenoxybenzene
CID 175265120
2,5-dimethyl-1-phenylhexan-2-ol
CID 63011565
benzene-1,2-diol;3-methyl-1-(3-methylbutoxy)butane
CID 175551750
4-(3-methylbutoxy)-2-(3-methylphenyl)butan-2-amine
CID 55096441
(2S)-2,3-dimethyl-1-phenylbutan-2-amine
CID 93299297
2-methyl-1-(3-methylbutoxy)propan-2-amine
CID 64537569
2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol
CID 116695468
4-ethyl-2-methyl-1-phenylhexan-2-amine
CID 82920478
3-benzyl-5-butoxy-1-phenylpentane-2,2-diamine
CID 175956431

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylbutoxy)-1-phenylbutan-2-amine?
The IUPAC name of 2-methyl-4-(3-methylbutoxy)-1-phenylbutan-2-amine (CID 114992850) is 2-methyl-4-(3-methylbutoxy)-1-phenylbutan-2-amine.
What is the SMILES notation for 2-methyl-4-(3-methylbutoxy)-1-phenylbutan-2-amine?
The canonical SMILES for 2-methyl-4-(3-methylbutoxy)-1-phenylbutan-2-amine is CC(C)CCOCCC(C)(N)Cc1ccccc1.
What is the InChIKey of 2-methyl-4-(3-methylbutoxy)-1-phenylbutan-2-amine?
The InChIKey is MPFLVXLNGGCCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-14(2)9-11-18-12-10-16(3,17)13-15-7-5-4-6-8-15/h4-8,14H,9-13,17H2,1-3H3.
What are the key properties of 2-methyl-4-(3-methylbutoxy)-1-phenylbutan-2-amine?
2-methyl-4-(3-methylbutoxy)-1-phenylbutan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylbutoxy)-1-phenylbutan-2-amine is sourced from PubChem (CID 114992850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).