N-[[5-(4-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine

C18H27NO — CID 65008825

IUPACN-[[5-(4-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(C2(CNC(C)(C)C)CC3(CC3)C2)cc1
InChIInChI=1S/C18H27NO/c1-16(2,3)19-13-18(11-17(12-18)9-10-17)14-5-7-15(20-4)8-6-14/h5-8,19H,9-13H2,1-4H3
InChIKeyWLBLFAPQGURMDY-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.90
Rot. Bonds4

About N-[[5-(4-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine

N-[[5-(4-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 65008825) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID65008825
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[[5-(4-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine
SMILESCOc1ccc(C2(CNC(C)(C)C)CC3(CC3)C2)cc1
InChIInChI=1S/C18H27NO/c1-16(2,3)19-13-18(11-17(12-18)9-10-17)14-5-7-15(20-4)8-6-14/h5-8,19H,9-13H2,1-4H3
InChIKeyWLBLFAPQGURMDY-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(5-phenylspiro[2.3]hexan-5-yl)methyl]propan-2-amine
CID 65008178
N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine
CID 65008450
N-[[2-(4-bromophenyl)spiro[3.3]heptan-2-yl]methyl]-2-methylpropan-2-amine
CID 65009342
N-[[1-(4-ethoxyphenyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 63510236
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]formamide
CID 110477111
N-[[1-(3-methoxyphenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63511751
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]propan-1-amine
CID 63516352
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 62595679
N-[[1-(4-bromophenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 55091756
N-[[2-(3-chlorophenyl)spiro[3.4]octan-2-yl]methyl]-2-methylpropan-2-amine
CID 65002677
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596968
2-methoxy-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]ethanamine
CID 62596604

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(4-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine (CID 65008825) is N-[[5-(4-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(4-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine is COc1ccc(C2(CNC(C)(C)C)CC3(CC3)C2)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is WLBLFAPQGURMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-16(2,3)19-13-18(11-17(12-18)9-10-17)14-5-7-15(20-4)8-6-14/h5-8,19H,9-13H2,1-4H3.
What are the key properties of N-[[5-(4-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine?
N-[[5-(4-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65008825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).