2-methyl-2-phenoxy-N-propylbutan-1-amine

C14H23NO — CID 62353829

IUPAC2-methyl-2-phenoxy-N-propylbutan-1-amine
SMILESCCCNCC(C)(CC)Oc1ccccc1
InChIInChI=1S/C14H23NO/c1-4-11-15-12-14(3,5-2)16-13-9-7-6-8-10-13/h6-10,15H,4-5,11-12H2,1-3H3
InChIKeyQJPXTWDFVMLODZ-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.23
Rot. Bonds7

About 2-methyl-2-phenoxy-N-propylbutan-1-amine

2-methyl-2-phenoxy-N-propylbutan-1-amine (PubChem CID 62353829) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-methyl-2-phenoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-methyl-2-phenoxy-N-propylbutan-1-amine
PubChem CID62353829
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-methyl-2-phenoxy-N-propylbutan-1-amine
SMILESCCCNCC(C)(CC)Oc1ccccc1
InChIInChI=1S/C14H23NO/c1-4-11-15-12-14(3,5-2)16-13-9-7-6-8-10-13/h6-10,15H,4-5,11-12H2,1-3H3
InChIKeyQJPXTWDFVMLODZ-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-2-phenoxy-N-propylbutan-1-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

2-methyl-N-propyl-2-[4-(trifluoromethyl)phenoxy]butan-1-amine
CID 62354231
2-methyl-2-(3-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 63488670
2-methyl-2-(2-phenylethoxy)-N-propylbutan-1-amine
CID 115003008
2-(4-chloro-3-ethylphenoxy)-2-methyl-N-propylbutan-1-amine
CID 55195419
2-methyl-N-propyl-2-quinolin-8-yloxybutan-1-amine
CID 62353249
N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine
CID 62353237
2-ethyl-2-phenyl-N-propylbutan-1-amine
CID 62596576
2-methyl-2-(4-phenoxyphenoxy)butan-1-amine
CID 62354841
2-ethyl-N,2-dimethyl-N-phenyl-N'-propylpropane-1,3-diamine
CID 62261498
N-(2-phenoxyethyl)propan-1-amine
CID 6453152
N-ethyl-2-(2-methoxyphenoxy)-2-methylbutan-1-amine
CID 62354236
2-(2-tert-butylphenoxy)-N-ethyl-2-methylbutan-1-amine
CID 55195033

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenoxy-N-propylbutan-1-amine?
The IUPAC name of 2-methyl-2-phenoxy-N-propylbutan-1-amine (CID 62353829) is 2-methyl-2-phenoxy-N-propylbutan-1-amine.
What is the SMILES notation for 2-methyl-2-phenoxy-N-propylbutan-1-amine?
The canonical SMILES for 2-methyl-2-phenoxy-N-propylbutan-1-amine is CCCNCC(C)(CC)Oc1ccccc1.
What is the InChIKey of 2-methyl-2-phenoxy-N-propylbutan-1-amine?
The InChIKey is QJPXTWDFVMLODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-11-15-12-14(3,5-2)16-13-9-7-6-8-10-13/h6-10,15H,4-5,11-12H2,1-3H3.
What are the key properties of 2-methyl-2-phenoxy-N-propylbutan-1-amine?
2-methyl-2-phenoxy-N-propylbutan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenoxy-N-propylbutan-1-amine is sourced from PubChem (CID 62353829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).