4-methyl-N-(3-phenoxypropyl)pentan-2-amine

C15H25NO — CID 62380766

IUPAC4-methyl-N-(3-phenoxypropyl)pentan-2-amine
SMILESCC(C)CC(C)NCCCOc1ccccc1
InChIInChI=1S/C15H25NO/c1-13(2)12-14(3)16-10-7-11-17-15-8-5-4-6-9-15/h4-6,8-9,13-14,16H,7,10-12H2,1-3H3
InChIKeyXEXXVNZZMQXEAD-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.48
Rot. Bonds8

About 4-methyl-N-(3-phenoxypropyl)pentan-2-amine

4-methyl-N-(3-phenoxypropyl)pentan-2-amine (PubChem CID 62380766) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-methyl-N-(3-phenoxypropyl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3-phenoxypropyl)pentan-2-amine
PubChem CID62380766
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-methyl-N-(3-phenoxypropyl)pentan-2-amine
SMILESCC(C)CC(C)NCCCOc1ccccc1
InChIInChI=1S/C15H25NO/c1-13(2)12-14(3)16-10-7-11-17-15-8-5-4-6-9-15/h4-6,8-9,13-14,16H,7,10-12H2,1-3H3
InChIKeyXEXXVNZZMQXEAD-UHFFFAOYSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-N-(3-phenoxypropyl)pentan-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-chloro-N-(3-phenoxypropyl)propan-2-amine
CID 65026073
2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine
CID 112743218
N,5-dimethyl-1-phenoxyhexan-3-amine
CID 60799426
N-ethyl-6-methyl-1-phenoxyheptan-4-amine
CID 78918808
N-(2-phenoxyethyl)octan-2-amine
CID 60689825
N-[2-(4-phenoxyphenoxy)ethyl]butan-2-amine
CID 63504622
N-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine
CID 60765949
N'-(2-methylpropyl)-N-(3-phenoxypropyl)ethane-1,2-diamine
CID 113405493
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
4-methyl-N-[2-(4-nitrophenoxy)ethyl]pentan-2-amine
CID 54915420
N-methyl-3-phenoxypropan-1-amine
CID 22067856
7-methyl-N-(3-phenoxypropyl)octan-1-amine
CID 103604921

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-phenoxypropyl)pentan-2-amine?
The IUPAC name of 4-methyl-N-(3-phenoxypropyl)pentan-2-amine (CID 62380766) is 4-methyl-N-(3-phenoxypropyl)pentan-2-amine.
What is the SMILES notation for 4-methyl-N-(3-phenoxypropyl)pentan-2-amine?
The canonical SMILES for 4-methyl-N-(3-phenoxypropyl)pentan-2-amine is CC(C)CC(C)NCCCOc1ccccc1.
What is the InChIKey of 4-methyl-N-(3-phenoxypropyl)pentan-2-amine?
The InChIKey is XEXXVNZZMQXEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-13(2)12-14(3)16-10-7-11-17-15-8-5-4-6-9-15/h4-6,8-9,13-14,16H,7,10-12H2,1-3H3.
What are the key properties of 4-methyl-N-(3-phenoxypropyl)pentan-2-amine?
4-methyl-N-(3-phenoxypropyl)pentan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-phenoxypropyl)pentan-2-amine is sourced from PubChem (CID 62380766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).