N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine

C17H27NO2 — CID 62571722

IUPACN-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine
SMILESCOc1cc(C)ccc1OCCNC1CCCCCC1
InChIInChI=1S/C17H27NO2/c1-14-9-10-16(17(13-14)19-2)20-12-11-18-15-7-5-3-4-6-8-15/h9-10,13,15,18H,3-8,11-12H2,1-2H3
InChIKeyPIFBKARWNVKFRQ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.69
Rot. Bonds6

About N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine

N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine (PubChem CID 62571722) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine
PubChem CID62571722
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine
SMILESCOc1cc(C)ccc1OCCNC1CCCCCC1
InChIInChI=1S/C17H27NO2/c1-14-9-10-16(17(13-14)19-2)20-12-11-18-15-7-5-3-4-6-8-15/h9-10,13,15,18H,3-8,11-12H2,1-2H3
InChIKeyPIFBKARWNVKFRQ-UHFFFAOYSA-N
XLogP3.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine 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-[2-(4-ethyl-2-methoxyphenoxy)ethyl]cyclohexanamine
CID 107668685
N-[2-(2-fluoro-5-methylphenoxy)ethyl]cyclopentanamine
CID 64854315
N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine
CID 62671091
N-[3-(2-bromo-4-methylphenoxy)propyl]cyclopentanamine
CID 62598188
N-[2-(2,3,5-trimethylphenoxy)ethyl]cyclohexanamine
CID 63517014
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cyclopropanecarboxamide
CID 113101778
N-[3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propyl]cyclopentanamine
CID 20833717
N-[2-(2,5-dimethylphenoxy)ethyl]oxan-4-amine
CID 63099519
1-cyclohexyl-2-(2-methoxy-4-methylphenoxy)ethanol
CID 104753531
N-[3-(2-tert-butyl-4-methylphenoxy)propyl]cyclopropanamine
CID 29016012
1-cyclopentyl-2-(2-methoxy-4-methylphenoxy)-N-methylethanamine
CID 104748636
N-[2-(2-methylphenoxy)ethyl]cycloheptanamine
CID 60688107

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine (CID 62571722) is N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine is COc1cc(C)ccc1OCCNC1CCCCCC1.
What is the InChIKey of N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine?
The InChIKey is PIFBKARWNVKFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14-9-10-16(17(13-14)19-2)20-12-11-18-15-7-5-3-4-6-8-15/h9-10,13,15,18H,3-8,11-12H2,1-2H3.
What are the key properties of N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine?
N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine has a molecular weight of 277.41 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-4-methylphenoxy)ethyl]cycloheptanamine is sourced from PubChem (CID 62571722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).