N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine

C15H25NO — CID 61483773

IUPACN-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine
SMILESCC(C)CCOCCNC(C)c1ccccc1
InChIInChI=1S/C15H25NO/c1-13(2)9-11-17-12-10-16-14(3)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3
InChIKeyICLBNPLHHJFRGD-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.40
Rot. Bonds8

About N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine

N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine (PubChem CID 61483773) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine.

Molecular Properties

Compound NameN-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine
PubChem CID61483773
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine
SMILESCC(C)CCOCCNC(C)c1ccccc1
InChIInChI=1S/C15H25NO/c1-13(2)9-11-17-12-10-16-14(3)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3
InChIKeyICLBNPLHHJFRGD-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine 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

(1S)-N-[2-(3-methylbutoxy)ethyl]-1-(3-methylphenyl)ethanamine
CID 81360285
(1R)-1-(4-methoxyphenyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 81370490
methyl 2-[2-(3-methylbutoxy)ethylamino]-2-phenylacetate
CID 62109331
N-[2-(2-methylprop-2-enoxy)ethyl]-1-phenylethanamine
CID 115698242
N-[2-(cyclopropylmethoxy)ethyl]-1-phenylethanamine
CID 115638914
2-chloro-N-[2-(3-methylbutoxy)ethyl]-2-phenylethanamine
CID 65023767
1-(furan-2-yl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 61483869
2-[2-[1-(4-phenylphenyl)ethylamino]ethoxy]ethanol
CID 43207514
2-methyl-1-[2-(3-methylbutoxy)ethyl]-3-(1-phenylethyl)guanidine;hydroiodide
CID 110950157
3,3-diphenyl-N-(1-phenylethyl)propan-1-amine
CID 69294873
N-(2-ethoxyethyl)-1-(4-phenylphenyl)ethanamine
CID 43403695
N,N'-bis[(1R)-1-phenylethyl]propane-1,3-diamine
CID 12964090

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine?
The IUPAC name of N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine (CID 61483773) is N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine.
What is the SMILES notation for N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine?
The canonical SMILES for N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine is CC(C)CCOCCNC(C)c1ccccc1.
What is the InChIKey of N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine?
The InChIKey is ICLBNPLHHJFRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-13(2)9-11-17-12-10-16-14(3)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3.
What are the key properties of N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine?
N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine has a molecular weight of 235.37 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 N-[2-(3-methylbutoxy)ethyl]-1-phenylethanamine is sourced from PubChem (CID 61483773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).