N-[(2-chlorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine

C16H22ClNO — CID 65295569

IUPACN-[(2-chlorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCc2ccccc2Cl)C12CCC2
InChIInChI=1S/C16H22ClNO/c1-2-19-15-10-14(16(15)8-5-9-16)18-11-12-6-3-4-7-13(12)17/h3-4,6-7,14-15,18H,2,5,8-11H2,1H3
InChIKeyHGZIENSZAFFGPI-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.78
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine

N-[(2-chlorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine (PubChem CID 65295569) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
PubChem CID65295569
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC NameN-[(2-chlorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCc2ccccc2Cl)C12CCC2
InChIInChI=1S/C16H22ClNO/c1-2-19-15-10-14(16(15)8-5-9-16)18-11-12-6-3-4-7-13(12)17/h3-4,6-7,14-15,18H,2,5,8-11H2,1H3
InChIKeyHGZIENSZAFFGPI-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-[(2-ethylphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65294485
3-ethoxy-N-[(2-fluorophenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295573
N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 65468186
3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295035
N-[(5-bromo-2-fluorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 65294569
3-ethoxy-N-[(3-ethyl-2-pyridinyl)methyl]spiro[3.4]octan-1-amine
CID 82732874
3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.3]heptan-1-amine
CID 103700293
3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65294565
3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine
CID 114699252
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 112705354
N-(1,3-benzothiazol-2-ylmethyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295134
3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine
CID 65294383

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine (CID 65295569) is N-[(2-chlorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine is CCOC1CC(NCc2ccccc2Cl)C12CCC2.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine?
The InChIKey is HGZIENSZAFFGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-2-19-15-10-14(16(15)8-5-9-16)18-11-12-6-3-4-7-13(12)17/h3-4,6-7,14-15,18H,2,5,8-11H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine?
N-[(2-chlorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine has a molecular weight of 279.81 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine is sourced from PubChem (CID 65295569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).