(2R)-2-[3-(2-methyl-2-propylpentoxy)phenoxy]propan-1-amine

C18H31NO2 — CID 71018378

IUPAC(2R)-2-[3-(2-methyl-2-propylpentoxy)phenoxy]propan-1-amine
SMILESCCCC(C)(CCC)COc1cccc(O[C@H](C)CN)c1
InChIInChI=1S/C18H31NO2/c1-5-10-18(4,11-6-2)14-20-16-8-7-9-17(12-16)21-15(3)13-19/h7-9,12,15H,5-6,10-11,13-14,19H2,1-4H3/t15-/m1/s1
InChIKeyUKZUDTDAODETRG-OAHLLOKOSA-N
MW293.45 g/mol
LogP4.40
Rot. Bonds10

About (2R)-2-[3-(2-methyl-2-propylpentoxy)phenoxy]propan-1-amine

(2R)-2-[3-(2-methyl-2-propylpentoxy)phenoxy]propan-1-amine (PubChem CID 71018378) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is (2R)-2-[3-(2-methyl-2-propylpentoxy)phenoxy]propan-1-amine.

Molecular Properties

Compound Name(2R)-2-[3-(2-methyl-2-propylpentoxy)phenoxy]propan-1-amine
PubChem CID71018378
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name(2R)-2-[3-(2-methyl-2-propylpentoxy)phenoxy]propan-1-amine
SMILESCCCC(C)(CCC)COc1cccc(O[C@H](C)CN)c1
InChIInChI=1S/C18H31NO2/c1-5-10-18(4,11-6-2)14-20-16-8-7-9-17(12-16)21-15(3)13-19/h7-9,12,15H,5-6,10-11,13-14,19H2,1-4H3/t15-/m1/s1
InChIKeyUKZUDTDAODETRG-OAHLLOKOSA-N
XLogP4.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2-methyl-2-propylpentoxy)phenyl]propan-1-amine
CID 143785905
3-(3-ethoxyphenoxy)butan-1-amine
CID 112507822
N-[3-hydroxy-3-[3-(2-methyl-2-propylpentoxy)phenyl]propyl]-N-methylacetamide
CID 71018431
2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine
CID 67316667
3-(3-tert-butylphenoxy)butan-1-amine
CID 70646087
3-(1-aminopropan-2-yloxy)benzonitrile
CID 82224541
3-[[3-[(2S)-3-amino-2-hydroxypropyl]phenoxy]methyl]hexan-3-ol
CID 168838032
4-[[3-[(2S)-2,3-diaminopropyl]phenoxy]methyl]heptan-4-ol
CID 135181161
4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine
CID 64706884
2-amino-N-[2-(3-methoxyphenoxy)propyl]-2-methylpentanamide;hydrochloride
CID 119804565
4-(3-ethoxyphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64719136
2-(3,4-dimethylphenoxy)propan-1-amine
CID 17169740

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(2-methyl-2-propylpentoxy)phenoxy]propan-1-amine?
The IUPAC name of (2R)-2-[3-(2-methyl-2-propylpentoxy)phenoxy]propan-1-amine (CID 71018378) is (2R)-2-[3-(2-methyl-2-propylpentoxy)phenoxy]propan-1-amine.
What is the SMILES notation for (2R)-2-[3-(2-methyl-2-propylpentoxy)phenoxy]propan-1-amine?
The canonical SMILES for (2R)-2-[3-(2-methyl-2-propylpentoxy)phenoxy]propan-1-amine is CCCC(C)(CCC)COc1cccc(O[C@H](C)CN)c1.
What is the InChIKey of (2R)-2-[3-(2-methyl-2-propylpentoxy)phenoxy]propan-1-amine?
The InChIKey is UKZUDTDAODETRG-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-10-18(4,11-6-2)14-20-16-8-7-9-17(12-16)21-15(3)13-19/h7-9,12,15H,5-6,10-11,13-14,19H2,1-4H3/t15-/m1/s1.
What are the key properties of (2R)-2-[3-(2-methyl-2-propylpentoxy)phenoxy]propan-1-amine?
(2R)-2-[3-(2-methyl-2-propylpentoxy)phenoxy]propan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.40, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(2-methyl-2-propylpentoxy)phenoxy]propan-1-amine is sourced from PubChem (CID 71018378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).