N-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine

C17H29NO — CID 55036236

IUPACN-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine
SMILESCc1ccc(C(CNC(C)C)OCCC(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(2)10-11-19-17(12-18-14(3)4)16-8-6-15(5)7-9-16/h6-9,13-14,17-18H,10-12H2,1-5H3
InChIKeyALPYRORKHIQRLP-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.10
Rot. Bonds8

About N-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine

N-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine (PubChem CID 55036236) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine
PubChem CID55036236
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine
SMILESCc1ccc(C(CNC(C)C)OCCC(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(2)10-11-19-17(12-18-14(3)4)16-8-6-15(5)7-9-16/h6-9,13-14,17-18H,10-12H2,1-5H3
InChIKeyALPYRORKHIQRLP-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine (CID 55036236) is N-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine is Cc1ccc(C(CNC(C)C)OCCC(C)C)cc1.
What is the InChIKey of N-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine?
The InChIKey is ALPYRORKHIQRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)10-11-19-17(12-18-14(3)4)16-8-6-15(5)7-9-16/h6-9,13-14,17-18H,10-12H2,1-5H3.
What are the key properties of N-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine?
N-[2-(3-methylbutoxy)-2-(4-methylphenyl)ethyl]propan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.10, 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)-2-(4-methylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 55036236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).