(1S,2R)-1-phenyl-N-propan-2-yl-1-propan-2-yloxypropan-2-amine

C15H25NO — CID 58932781

IUPAC(1S,2R)-1-phenyl-N-propan-2-yl-1-propan-2-yloxypropan-2-amine
SMILESCC(C)N[C@H](C)[C@@H](OC(C)C)c1ccccc1
InChIInChI=1S/C15H25NO/c1-11(2)16-13(5)15(17-12(3)4)14-9-7-6-8-10-14/h6-13,15-16H,1-5H3/t13-,15-/m1/s1
InChIKeyUYMNJTXRGBVYOE-UKRRQHHQSA-N
MW235.37 g/mol
LogP3.54
Rot. Bonds6

About (1S,2R)-1-phenyl-N-propan-2-yl-1-propan-2-yloxypropan-2-amine

(1S,2R)-1-phenyl-N-propan-2-yl-1-propan-2-yloxypropan-2-amine (PubChem CID 58932781) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (1S,2R)-1-phenyl-N-propan-2-yl-1-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name(1S,2R)-1-phenyl-N-propan-2-yl-1-propan-2-yloxypropan-2-amine
PubChem CID58932781
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(1S,2R)-1-phenyl-N-propan-2-yl-1-propan-2-yloxypropan-2-amine
SMILESCC(C)N[C@H](C)[C@@H](OC(C)C)c1ccccc1
InChIInChI=1S/C15H25NO/c1-11(2)16-13(5)15(17-12(3)4)14-9-7-6-8-10-14/h6-13,15-16H,1-5H3/t13-,15-/m1/s1
InChIKeyUYMNJTXRGBVYOE-UKRRQHHQSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-phenyl-2-(propan-2-ylamino)propan-1-ol
CID 70464274
(2-methyl-1-propan-2-yloxyhexyl)benzene
CID 118530861
N-[(1R)-1-phenylethyl]propan-2-amine;hydrochloride
CID 22831491
N-[(1R,2S)-1,2-diphenyl-2-phenylmethoxyethyl]propan-2-amine
CID 15722769
(1S)-1-phenyl-N-propan-2-ylpropan-1-amine
CID 14387504
1-ethoxy-1-phenyl-N-(1-phenylpropan-2-yl)propan-2-amine
CID 110176857
2,2-dimethyl-1-phenyl-N-propan-2-ylpropan-1-amine
CID 15739872
N-[methylsulfanyl(phenyl)methyl]propan-2-amine
CID 143180866
(1R)-1-[(1R,2R)-2-methoxy-1,2-diphenylethoxy]-N,N-dimethylethanamine
CID 139888708
methyl 2-phenyl-2-propan-2-yloxyacetate
CID 75094315
methyl (2S)-2-phenyl-2-propan-2-yloxyacetate
CID 102179999
2-phenyl-2-(propan-2-ylamino)ethane-1,1,1-triol
CID 88786065

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-phenyl-N-propan-2-yl-1-propan-2-yloxypropan-2-amine?
The IUPAC name of (1S,2R)-1-phenyl-N-propan-2-yl-1-propan-2-yloxypropan-2-amine (CID 58932781) is (1S,2R)-1-phenyl-N-propan-2-yl-1-propan-2-yloxypropan-2-amine.
What is the SMILES notation for (1S,2R)-1-phenyl-N-propan-2-yl-1-propan-2-yloxypropan-2-amine?
The canonical SMILES for (1S,2R)-1-phenyl-N-propan-2-yl-1-propan-2-yloxypropan-2-amine is CC(C)N[C@H](C)[C@@H](OC(C)C)c1ccccc1.
What is the InChIKey of (1S,2R)-1-phenyl-N-propan-2-yl-1-propan-2-yloxypropan-2-amine?
The InChIKey is UYMNJTXRGBVYOE-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)16-13(5)15(17-12(3)4)14-9-7-6-8-10-14/h6-13,15-16H,1-5H3/t13-,15-/m1/s1.
What are the key properties of (1S,2R)-1-phenyl-N-propan-2-yl-1-propan-2-yloxypropan-2-amine?
(1S,2R)-1-phenyl-N-propan-2-yl-1-propan-2-yloxypropan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-phenyl-N-propan-2-yl-1-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 58932781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).