(2R)-1-butoxy-2-phenyl-N-(trimethylsilylmethyl)propan-2-amine

C17H31NOSi — CID 70101098

IUPAC(2R)-1-butoxy-2-phenyl-N-(trimethylsilylmethyl)propan-2-amine
SMILESCCCCOC[C@](C)(NC[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C17H31NOSi/c1-6-7-13-19-14-17(2,18-15-20(3,4)5)16-11-9-8-10-12-16/h8-12,18H,6-7,13-15H2,1-5H3/t17-/m0/s1
InChIKeyCDYYBUIDZIWRIM-KRWDZBQOSA-N
MW293.53 g/mol
LogP4.19
Rot. Bonds9

About (2R)-1-butoxy-2-phenyl-N-(trimethylsilylmethyl)propan-2-amine

(2R)-1-butoxy-2-phenyl-N-(trimethylsilylmethyl)propan-2-amine (PubChem CID 70101098) has the molecular formula C17H31NOSi and a molecular weight of 293.53 g/mol. Its IUPAC name is (2R)-1-butoxy-2-phenyl-N-(trimethylsilylmethyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-butoxy-2-phenyl-N-(trimethylsilylmethyl)propan-2-amine
PubChem CID70101098
Molecular FormulaC17H31NOSi
Molecular Weight293.53 g/mol
Exact Mass293.22
IUPAC Name(2R)-1-butoxy-2-phenyl-N-(trimethylsilylmethyl)propan-2-amine
SMILESCCCCOC[C@](C)(NC[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C17H31NOSi/c1-6-7-13-19-14-17(2,18-15-20(3,4)5)16-11-9-8-10-12-16/h8-12,18H,6-7,13-15H2,1-5H3/t17-/m0/s1
InChIKeyCDYYBUIDZIWRIM-KRWDZBQOSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-butoxy-N-methyl-2-phenyl-N-trimethylsilylpropan-2-amine
CID 54343408
(5-heptoxy-2-methylpentan-2-yl)benzene
CID 143912410
[5-(2-butoxyethoxy)-3-[2-(2-butoxyethoxy)ethyl]-2-phenylpentan-2-yl]benzene
CID 173364305
N-[2-(2-butoxyethoxy)ethyl]aniline
CID 55093379
3-hexoxy-2-phenyl-2-(propylamino)propan-1-ol
CID 64811643
4-butoxy-2-(methylamino)-2-phenylbutanenitrile
CID 116692934
N-(3-butoxypropyl)pyridin-2-amine
CID 115569614
tert-butylbenzene;hexane
CID 175254424
(1-heptoxy-2-methylpent-4-en-2-yl)benzene
CID 163895565
4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile
CID 116692809
1-butoxybutane;3,3,3-trichloro-2-methyl-1-phenylpropane-1,1-diol
CID 174671316
3-butoxy-2-chloro-N-phenyl-2-trimethylsilylpropanamide
CID 21396843

Frequently Asked Questions

What is the IUPAC name of (2R)-1-butoxy-2-phenyl-N-(trimethylsilylmethyl)propan-2-amine?
The IUPAC name of (2R)-1-butoxy-2-phenyl-N-(trimethylsilylmethyl)propan-2-amine (CID 70101098) is (2R)-1-butoxy-2-phenyl-N-(trimethylsilylmethyl)propan-2-amine.
What is the SMILES notation for (2R)-1-butoxy-2-phenyl-N-(trimethylsilylmethyl)propan-2-amine?
The canonical SMILES for (2R)-1-butoxy-2-phenyl-N-(trimethylsilylmethyl)propan-2-amine is CCCCOC[C@](C)(NC[Si](C)(C)C)c1ccccc1.
What is the InChIKey of (2R)-1-butoxy-2-phenyl-N-(trimethylsilylmethyl)propan-2-amine?
The InChIKey is CDYYBUIDZIWRIM-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H31NOSi/c1-6-7-13-19-14-17(2,18-15-20(3,4)5)16-11-9-8-10-12-16/h8-12,18H,6-7,13-15H2,1-5H3/t17-/m0/s1.
What are the key properties of (2R)-1-butoxy-2-phenyl-N-(trimethylsilylmethyl)propan-2-amine?
(2R)-1-butoxy-2-phenyl-N-(trimethylsilylmethyl)propan-2-amine has a molecular weight of 293.53 g/mol, XLogP of 4.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-butoxy-2-phenyl-N-(trimethylsilylmethyl)propan-2-amine is sourced from PubChem (CID 70101098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).