N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine

C18H23NO2 — CID 63474716

IUPACN-methyl-1-(4-phenoxyphenoxy)pentan-2-amine
SMILESCCCC(COc1ccc(Oc2ccccc2)cc1)NC
InChIInChI=1S/C18H23NO2/c1-3-7-15(19-2)14-20-16-10-12-18(13-11-16)21-17-8-5-4-6-9-17/h4-6,8-13,15,19H,3,7,14H2,1-2H3
InChIKeySHKDJXGPQQMMBP-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.25
Rot. Bonds8

About N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine

N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine (PubChem CID 63474716) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(4-phenoxyphenoxy)pentan-2-amine
PubChem CID63474716
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-methyl-1-(4-phenoxyphenoxy)pentan-2-amine
SMILESCCCC(COc1ccc(Oc2ccccc2)cc1)NC
InChIInChI=1S/C18H23NO2/c1-3-7-15(19-2)14-20-16-10-12-18(13-11-16)21-17-8-5-4-6-9-17/h4-6,8-13,15,19H,3,7,14H2,1-2H3
InChIKeySHKDJXGPQQMMBP-UHFFFAOYSA-N
XLogP4.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-phenoxynonan-2-amine
CID 63416660
N-methyl-1-(4-propylphenoxy)pentan-2-amine
CID 62548560
1-ethoxy-N-methyl-3-phenoxypropan-2-amine
CID 79574032
1-[4-(2-methoxyethyl)phenoxy]-N-methylpentan-2-amine
CID 62044092
N-methyl-1-(3-propan-2-ylphenoxy)pentan-2-amine
CID 62041686
N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 19069357
(1R)-N-methyl-1-(4-phenoxyphenyl)butan-1-amine
CID 54006451
1-(4-chlorophenoxy)-N-methylhexan-2-amine
CID 105125626
N-methyl-1-(2-methylphenoxy)pentan-2-amine
CID 62044744
N,3-dimethyl-1-phenoxyhexan-2-amine
CID 107893778
5-methoxy-N,5-dimethyl-1-phenoxyhexan-2-amine
CID 103031640
1-(4-phenoxyphenoxy)-N-propylpropan-2-amine
CID 63474715

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine?
The IUPAC name of N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine (CID 63474716) is N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine.
What is the SMILES notation for N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine?
The canonical SMILES for N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine is CCCC(COc1ccc(Oc2ccccc2)cc1)NC.
What is the InChIKey of N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine?
The InChIKey is SHKDJXGPQQMMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-7-15(19-2)14-20-16-10-12-18(13-11-16)21-17-8-5-4-6-9-17/h4-6,8-13,15,19H,3,7,14H2,1-2H3.
What are the key properties of N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine?
N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine is sourced from PubChem (CID 63474716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).