2,4,4-trimethyl-N-[2-(3-methylphenoxy)ethyl]cyclopentan-1-amine

C17H27NO — CID 106662415

IUPAC2,4,4-trimethyl-N-[2-(3-methylphenoxy)ethyl]cyclopentan-1-amine
SMILESCc1cccc(OCCNC2CC(C)(C)CC2C)c1
InChIInChI=1S/C17H27NO/c1-13-6-5-7-15(10-13)19-9-8-18-16-12-17(3,4)11-14(16)2/h5-7,10,14,16,18H,8-9,11-12H2,1-4H3
InChIKeyAPOAPLVAPSDLGY-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.79
Rot. Bonds5

About 2,4,4-trimethyl-N-[2-(3-methylphenoxy)ethyl]cyclopentan-1-amine

2,4,4-trimethyl-N-[2-(3-methylphenoxy)ethyl]cyclopentan-1-amine (PubChem CID 106662415) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[2-(3-methylphenoxy)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[2-(3-methylphenoxy)ethyl]cyclopentan-1-amine
PubChem CID106662415
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2,4,4-trimethyl-N-[2-(3-methylphenoxy)ethyl]cyclopentan-1-amine
SMILESCc1cccc(OCCNC2CC(C)(C)CC2C)c1
InChIInChI=1S/C17H27NO/c1-13-6-5-7-15(10-13)19-9-8-18-16-12-17(3,4)11-14(16)2/h5-7,10,14,16,18H,8-9,11-12H2,1-4H3
InChIKeyAPOAPLVAPSDLGY-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine
CID 106662463
2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine
CID 64761505
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
2-[2-(3-methylphenoxy)ethylamino]cyclohexane-1-carbonitrile
CID 62741177
2-[2-(3-methylphenoxy)ethylamino]cyclopentane-1-carbonitrile
CID 62742075
N-[2-(3-methylphenoxy)ethyl]spiro[3.5]nonan-3-amine
CID 102951726
2-methyl-1-[2-(3-methylphenoxy)ethyl]cyclopropan-1-ol
CID 79333712
1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine
CID 81334394
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
2-methyl-1-(2-methylcyclopropyl)-3-[2-(3-methylphenoxy)ethyl]guanidine;hydroiodide
CID 111366816
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine
CID 62982691
1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone
CID 60664116

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[2-(3-methylphenoxy)ethyl]cyclopentan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-[2-(3-methylphenoxy)ethyl]cyclopentan-1-amine (CID 106662415) is 2,4,4-trimethyl-N-[2-(3-methylphenoxy)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[2-(3-methylphenoxy)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[2-(3-methylphenoxy)ethyl]cyclopentan-1-amine is Cc1cccc(OCCNC2CC(C)(C)CC2C)c1.
What is the InChIKey of 2,4,4-trimethyl-N-[2-(3-methylphenoxy)ethyl]cyclopentan-1-amine?
The InChIKey is APOAPLVAPSDLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-13-6-5-7-15(10-13)19-9-8-18-16-12-17(3,4)11-14(16)2/h5-7,10,14,16,18H,8-9,11-12H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-N-[2-(3-methylphenoxy)ethyl]cyclopentan-1-amine?
2,4,4-trimethyl-N-[2-(3-methylphenoxy)ethyl]cyclopentan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-[2-(3-methylphenoxy)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 106662415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).