N-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine

C16H27NO — CID 62597342

IUPACN-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine
SMILESCCCNCCCCOc1c(C)cc(C)cc1C
InChIInChI=1S/C16H27NO/c1-5-8-17-9-6-7-10-18-16-14(3)11-13(2)12-15(16)4/h11-12,17H,5-10H2,1-4H3
InChIKeyNYRXFMKEHQERNJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.77
Rot. Bonds8

About N-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine

N-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine (PubChem CID 62597342) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine.

Molecular Properties

Compound NameN-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine
PubChem CID62597342
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine
SMILESCCCNCCCCOc1c(C)cc(C)cc1C
InChIInChI=1S/C16H27NO/c1-5-8-17-9-6-7-10-18-16-14(3)11-13(2)12-15(16)4/h11-12,17H,5-10H2,1-4H3
InChIKeyNYRXFMKEHQERNJ-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-propyl-4-(2,4,6-trimethylphenoxy)butan-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

3-ethoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]propan-1-amine
CID 62598903
ethane;2-hexoxy-1,3,5-trimethylbenzene
CID 143283157
N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine
CID 29016141
1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974537
5-(4-methoxy-3,5-dimethylphenyl)-N-propylpentan-1-amine
CID 83067861
N-butyl-4-(2,3,6-trimethylphenoxy)butan-1-amine;hydrochloride
CID 2866081
5-(2,4,6-trimethylphenoxy)pentan-1-ol
CID 62228821
6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine
CID 102986433
N-[[4-(3-ethoxypropoxy)-3,5-dimethylphenyl]methyl]propan-1-amine
CID 65176339
5-(2,6-dimethoxyphenoxy)-N-propylpentan-1-amine
CID 62449814
3-(4-methylphenoxy)-N-propylpropan-1-amine
CID 29015066
4-(4-chloro-2,6-dimethylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55221312

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine?
The IUPAC name of N-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine (CID 62597342) is N-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine.
What is the SMILES notation for N-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine?
The canonical SMILES for N-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine is CCCNCCCCOc1c(C)cc(C)cc1C.
What is the InChIKey of N-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine?
The InChIKey is NYRXFMKEHQERNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-8-17-9-6-7-10-18-16-14(3)11-13(2)12-15(16)4/h11-12,17H,5-10H2,1-4H3.
What are the key properties of N-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine?
N-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(2,4,6-trimethylphenoxy)butan-1-amine is sourced from PubChem (CID 62597342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).