3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine

C18H27NO — CID 65295135

IUPAC3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(Nc2cccc(C(C)C)c2)C12CCC2
InChIInChI=1S/C18H27NO/c1-4-20-17-12-16(18(17)9-6-10-18)19-15-8-5-7-14(11-15)13(2)3/h5,7-8,11,13,16-17,19H,4,6,9-10,12H2,1-3H3
InChIKeyCOGLVDLIPHZOHV-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.57
Rot. Bonds5

About 3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine

3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine (PubChem CID 65295135) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine
PubChem CID65295135
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(Nc2cccc(C(C)C)c2)C12CCC2
InChIInChI=1S/C18H27NO/c1-4-20-17-12-16(18(17)9-6-10-18)19-15-8-5-7-14(11-15)13(2)3/h5,7-8,11,13,16-17,19H,4,6,9-10,12H2,1-3H3
InChIKeyCOGLVDLIPHZOHV-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65294372
3-ethoxy-N-(3-iodophenyl)spiro[3.4]octan-1-amine
CID 64864037
3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol
CID 65167993
3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]benzoic acid
CID 65295482
N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295033
3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine
CID 65295481
2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol
CID 107679311
N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295443
3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295180
3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295079
N-(3-ethoxyspiro[3.3]heptan-1-yl)quinolin-6-amine
CID 65294575
N-(3-ethoxyspiro[3.5]nonan-1-yl)pyridin-3-amine
CID 65170359

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine (CID 65295135) is 3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine is CCOC1CC(Nc2cccc(C(C)C)c2)C12CCC2.
What is the InChIKey of 3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine?
The InChIKey is COGLVDLIPHZOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-20-17-12-16(18(17)9-6-10-18)19-15-8-5-7-14(11-15)13(2)3/h5,7-8,11,13,16-17,19H,4,6,9-10,12H2,1-3H3.
What are the key properties of 3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine?
3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine is sourced from PubChem (CID 65295135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).