N-[2-(3-methylphenoxy)ethyl]spiro[3.5]nonan-3-amine

C18H27NO — CID 102951726

IUPACN-[2-(3-methylphenoxy)ethyl]spiro[3.5]nonan-3-amine
SMILESCc1cccc(OCCNC2CCC23CCCCC3)c1
InChIInChI=1S/C18H27NO/c1-15-6-5-7-16(14-15)20-13-12-19-17-8-11-18(17)9-3-2-4-10-18/h5-7,14,17,19H,2-4,8-13H2,1H3
InChIKeyGFSPMWPWGIMVCM-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.08
Rot. Bonds5

About N-[2-(3-methylphenoxy)ethyl]spiro[3.5]nonan-3-amine

N-[2-(3-methylphenoxy)ethyl]spiro[3.5]nonan-3-amine (PubChem CID 102951726) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]spiro[3.5]nonan-3-amine
PubChem CID102951726
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[2-(3-methylphenoxy)ethyl]spiro[3.5]nonan-3-amine
SMILESCc1cccc(OCCNC2CCC23CCCCC3)c1
InChIInChI=1S/C18H27NO/c1-15-6-5-7-16(14-15)20-13-12-19-17-8-11-18(17)9-3-2-4-10-18/h5-7,14,17,19H,2-4,8-13H2,1H3
InChIKeyGFSPMWPWGIMVCM-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.08
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

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
1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
CID 38159345
2,4,4-trimethyl-N-[2-(3-methylphenoxy)ethyl]cyclopentan-1-amine
CID 106662415
2,5-dimethyl-N-[2-(3-methylphenoxy)ethyl]cyclohexan-1-amine
CID 64761505
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine
CID 62982691
1-[4-[2-(3-methylphenoxy)ethylamino]piperidin-1-yl]ethanone
CID 60664116
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60696154
N-[2-(3-methylphenoxy)ethyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62841620
1,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]piperidin-4-amine
CID 81334394
N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-2H-chromen-4-amine
CID 60694297

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]spiro[3.5]nonan-3-amine?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]spiro[3.5]nonan-3-amine (CID 102951726) is N-[2-(3-methylphenoxy)ethyl]spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]spiro[3.5]nonan-3-amine?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]spiro[3.5]nonan-3-amine is Cc1cccc(OCCNC2CCC23CCCCC3)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]spiro[3.5]nonan-3-amine?
The InChIKey is GFSPMWPWGIMVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-15-6-5-7-16(14-15)20-13-12-19-17-8-11-18(17)9-3-2-4-10-18/h5-7,14,17,19H,2-4,8-13H2,1H3.
What are the key properties of N-[2-(3-methylphenoxy)ethyl]spiro[3.5]nonan-3-amine?
N-[2-(3-methylphenoxy)ethyl]spiro[3.5]nonan-3-amine has a molecular weight of 273.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]spiro[3.5]nonan-3-amine is sourced from PubChem (CID 102951726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).