(2S)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-3-methyl-1-trimethylsilyloxybutan-2-amine

C18H30FNOSi — CID 59719053

IUPAC(2S)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-3-methyl-1-trimethylsilyloxybutan-2-amine
SMILESCC(C)[C@@H](CO[Si](C)(C)C)N[C@H](c1cccc(F)c1)C1CC1
InChIInChI=1S/C18H30FNOSi/c1-13(2)17(12-21-22(3,4)5)20-18(14-9-10-14)15-7-6-8-16(19)11-15/h6-8,11,13-14,17-18,20H,9-10,12H2,1-5H3/t17-,18+/m1/s1
InChIKeyMRXRZLHSWIHKSK-MSOLQXFVSA-N
MW323.53 g/mol
LogP4.74
Rot. Bonds8

About (2S)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-3-methyl-1-trimethylsilyloxybutan-2-amine

(2S)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-3-methyl-1-trimethylsilyloxybutan-2-amine (PubChem CID 59719053) has the molecular formula C18H30FNOSi and a molecular weight of 323.53 g/mol. Its IUPAC name is (2S)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-3-methyl-1-trimethylsilyloxybutan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-3-methyl-1-trimethylsilyloxybutan-2-amine
PubChem CID59719053
Molecular FormulaC18H30FNOSi
Molecular Weight323.53 g/mol
Exact Mass323.21
IUPAC Name(2S)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-3-methyl-1-trimethylsilyloxybutan-2-amine
SMILESCC(C)[C@@H](CO[Si](C)(C)C)N[C@H](c1cccc(F)c1)C1CC1
InChIInChI=1S/C18H30FNOSi/c1-13(2)17(12-21-22(3,4)5)20-18(14-9-10-14)15-7-6-8-16(19)11-15/h6-8,11,13-14,17-18,20H,9-10,12H2,1-5H3/t17-,18+/m1/s1
InChIKeyMRXRZLHSWIHKSK-MSOLQXFVSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-2-((tert-Butyldimethylsilyl)oxy)-N-((R)-1-(4-fluorophenyl)ethyl)penta-1,4-dien-3-amine
CID 134813839
(S,Z)-N-Benzyl-4-((tert-butyldimethylsilyl)oxy)-9-fluoronona-1,4-dien-3-amine
CID 134813866
(E,1S)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-ethyl-2-propyl-1-[4-(trifluoromethyl)phenyl]hex-2-en-1-amine
CID 135001042
1-cyclopropyl-1-(4-fluorophenyl)-N-(oxan-2-ylmethyl)methanamine
CID 55014609
2-[[1-(4-Fluorophenyl)-2,2-dimethylpropyl]amino]ethanol
CID 72111003
(2S)-2-[[1-(3,4-difluorophenyl)-2-methylpropyl]amino]propan-1-ol
CID 86814951
(2S)-N-[(4-fluorophenyl)methyl]-1-methoxypropan-2-amine
CID 872123
(2S)-2-[(4-fluorophenyl)methylamino]butan-1-ol
CID 961334
(2R)-2-[(4-fluorophenyl)methylamino]butan-1-ol
CID 961335
(2S)-2-[(2-fluorophenyl)methylamino]butan-1-ol
CID 1089241
(2R)-2-[(2-fluorophenyl)methylamino]butan-1-ol
CID 1089242
(4-Fluoro-benzyl)-(2-methoxy-1-methyl-ethyl)-amine
CID 2853097

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-3-methyl-1-trimethylsilyloxybutan-2-amine?
The IUPAC name of (2S)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-3-methyl-1-trimethylsilyloxybutan-2-amine (CID 59719053) is (2S)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-3-methyl-1-trimethylsilyloxybutan-2-amine.
What is the SMILES notation for (2S)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-3-methyl-1-trimethylsilyloxybutan-2-amine?
The canonical SMILES for (2S)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-3-methyl-1-trimethylsilyloxybutan-2-amine is CC(C)[C@@H](CO[Si](C)(C)C)N[C@H](c1cccc(F)c1)C1CC1.
What is the InChIKey of (2S)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-3-methyl-1-trimethylsilyloxybutan-2-amine?
The InChIKey is MRXRZLHSWIHKSK-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H30FNOSi/c1-13(2)17(12-21-22(3,4)5)20-18(14-9-10-14)15-7-6-8-16(19)11-15/h6-8,11,13-14,17-18,20H,9-10,12H2,1-5H3/t17-,18+/m1/s1.
What are the key properties of (2S)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-3-methyl-1-trimethylsilyloxybutan-2-amine?
(2S)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-3-methyl-1-trimethylsilyloxybutan-2-amine has a molecular weight of 323.53 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-3-methyl-1-trimethylsilyloxybutan-2-amine is sourced from PubChem (CID 59719053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).