N-[[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine

C19H29NO — CID 65008610

IUPACN-[[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCOc1ccc(C2(CNCC(C)C)CC3(CC3)C2)cc1
InChIInChI=1S/C19H29NO/c1-4-21-17-7-5-16(6-8-17)19(14-20-11-15(2)3)12-18(13-19)9-10-18/h5-8,15,20H,4,9-14H2,1-3H3
InChIKeyQTYQMSHLFHWGHL-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.14
Rot. Bonds7

About N-[[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine

N-[[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 65008610) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID65008610
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCOc1ccc(C2(CNCC(C)C)CC3(CC3)C2)cc1
InChIInChI=1S/C19H29NO/c1-4-21-17-7-5-16(6-8-17)19(14-20-11-15(2)3)12-18(13-19)9-10-18/h5-8,15,20H,4,9-14H2,1-3H3
InChIKeyQTYQMSHLFHWGHL-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.14
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-1-amine
CID 65008179
[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008279
2-methyl-N-[(2-pyridin-4-ylspiro[3.5]nonan-2-yl)methyl]propan-1-amine
CID 80523825
N-[[3,3-diethyl-1-(4-fluorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65003672
N-[[5-(2-bromophenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
CID 65008248
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
2-(4-ethoxyphenyl)spiro[3.3]heptan-2-amine
CID 65009061
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 62596044
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 63509925
N-[[5-(2-methoxy-5-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine
CID 65008712
N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine
CID 65009225

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine (CID 65008610) is N-[[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine is CCOc1ccc(C2(CNCC(C)C)CC3(CC3)C2)cc1.
What is the InChIKey of N-[[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is QTYQMSHLFHWGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-4-21-17-7-5-16(6-8-17)19(14-20-11-15(2)3)12-18(13-19)9-10-18/h5-8,15,20H,4,9-14H2,1-3H3.
What are the key properties of N-[[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-ethoxyphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65008610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).