N-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine

C19H29NO — CID 66359517

IUPACN-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine
SMILESCNC1CC(Oc2ccc(C(C)C)cc2)C12CCCCC2
InChIInChI=1S/C19H29NO/c1-14(2)15-7-9-16(10-8-15)21-18-13-17(20-3)19(18)11-5-4-6-12-19/h7-10,14,17-18,20H,4-6,11-13H2,1-3H3
InChIKeySSZPMUMZSOAWSJ-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.50
Rot. Bonds4

About N-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine

N-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine (PubChem CID 66359517) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine
PubChem CID66359517
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine
SMILESCNC1CC(Oc2ccc(C(C)C)cc2)C12CCCCC2
InChIInChI=1S/C19H29NO/c1-14(2)15-7-9-16(10-8-15)21-18-13-17(20-3)19(18)11-5-4-6-12-19/h7-10,14,17-18,20H,4-6,11-13H2,1-3H3
InChIKeySSZPMUMZSOAWSJ-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66359127
3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 66359498
3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 82717363
3-(4-chloro-3,5-dimethylphenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66359072
3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine
CID 107171641
3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66357529
3-(2-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66357306
3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66358000
3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66359116
3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66356924
N-methyl-3-(2,4,6-tribromophenoxy)spiro[3.5]nonan-1-amine
CID 66358042
3-bromo-1-(4-butan-2-ylphenoxy)spiro[3.5]nonane
CID 107669392

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine?
The IUPAC name of N-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine (CID 66359517) is N-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine.
What is the SMILES notation for N-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine?
The canonical SMILES for N-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine is CNC1CC(Oc2ccc(C(C)C)cc2)C12CCCCC2.
What is the InChIKey of N-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine?
The InChIKey is SSZPMUMZSOAWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(2)15-7-9-16(10-8-15)21-18-13-17(20-3)19(18)11-5-4-6-12-19/h7-10,14,17-18,20H,4-6,11-13H2,1-3H3.
What are the key properties of N-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine?
N-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 66359517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).