N-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine

C19H31NO — CID 63506870

IUPACN-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine
SMILESCC(C)(C)c1ccccc1OCCCNC1CCCCC1
InChIInChI=1S/C19H31NO/c1-19(2,3)17-12-7-8-13-18(17)21-15-9-14-20-16-10-5-4-6-11-16/h7-8,12-13,16,20H,4-6,9-11,14-15H2,1-3H3
InChIKeyVALJGEQFDWARDN-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.68
Rot. Bonds6

About N-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine

N-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine (PubChem CID 63506870) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine
PubChem CID63506870
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine
SMILESCC(C)(C)c1ccccc1OCCCNC1CCCCC1
InChIInChI=1S/C19H31NO/c1-19(2,3)17-12-7-8-13-18(17)21-15-9-14-20-16-10-5-4-6-11-16/h7-8,12-13,16,20H,4-6,9-11,14-15H2,1-3H3
InChIKeyVALJGEQFDWARDN-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine 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

N-[5-(2-tert-butylphenoxy)pentyl]cyclopropanamine
CID 62451843
N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
CID 62573100
N-[3-(2-tert-butyl-4-methylphenoxy)propyl]cyclopropanamine
CID 29016012
N-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
N-[4-(2-methylphenoxy)butyl]cyclopentanamine
CID 82097612
N-(3-phenoxypropyl)cyclohexanamine
CID 60683732
2-(2-tert-butylphenoxy)-1-cyclohexyl-N-methylethanamine
CID 104748352
N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 62571642
N-[2-(2-methylsulfanylphenoxy)ethyl]cyclohexanamine
CID 63649255
N-[3-(2,5-difluorophenoxy)propyl]cyclohexanamine
CID 63273078
2-(2-tert-butylphenoxy)-N-ethylethanamine
CID 29015338

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine?
The IUPAC name of N-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine (CID 63506870) is N-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine.
What is the SMILES notation for N-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine?
The canonical SMILES for N-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine is CC(C)(C)c1ccccc1OCCCNC1CCCCC1.
What is the InChIKey of N-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine?
The InChIKey is VALJGEQFDWARDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-19(2,3)17-12-7-8-13-18(17)21-15-9-14-20-16-10-5-4-6-11-16/h7-8,12-13,16,20H,4-6,9-11,14-15H2,1-3H3.
What are the key properties of N-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine?
N-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine has a molecular weight of 289.46 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine is sourced from PubChem (CID 63506870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).