(1S)-1-(4-trimethylsilyloxyphenyl)pentan-1-amine;hydrochloride

C14H26ClNOSi — CID 171226877

IUPAC(1S)-1-(4-trimethylsilyloxyphenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@H](N)c1ccc(O[Si](C)(C)C)cc1.Cl
InChIInChI=1S/C14H25NOSi.ClH/c1-5-6-7-14(15)12-8-10-13(11-9-12)16-17(2,3)4;/h8-11,14H,5-7,15H2,1-4H3;1H/t14-;/m0./s1
InChIKeyKTXBCVGFAHTNAQ-UQKRIMTDSA-N
MW287.91 g/mol
LogP4.51
Rot. Bonds6

About (1S)-1-(4-trimethylsilyloxyphenyl)pentan-1-amine;hydrochloride

(1S)-1-(4-trimethylsilyloxyphenyl)pentan-1-amine;hydrochloride (PubChem CID 171226877) has the molecular formula C14H26ClNOSi and a molecular weight of 287.91 g/mol. Its IUPAC name is (1S)-1-(4-trimethylsilyloxyphenyl)pentan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(4-trimethylsilyloxyphenyl)pentan-1-amine;hydrochloride
PubChem CID171226877
Molecular FormulaC14H26ClNOSi
Molecular Weight287.91 g/mol
Exact Mass287.15
IUPAC Name(1S)-1-(4-trimethylsilyloxyphenyl)pentan-1-amine;hydrochloride
SMILESCCCC[C@H](N)c1ccc(O[Si](C)(C)C)cc1.Cl
InChIInChI=1S/C14H25NOSi.ClH/c1-5-6-7-14(15)12-8-10-13(11-9-12)16-17(2,3)4;/h8-11,14H,5-7,15H2,1-4H3;1H/t14-;/m0./s1
InChIKeyKTXBCVGFAHTNAQ-UQKRIMTDSA-N
XLogP4.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.91
LogP ≤ 54.51
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

(1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine
CID 171226872
(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312
(1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride
CID 171313104
[4-[(1S)-1-aminopentyl]phenyl] acetate;hydrochloride
CID 171229400
(1S)-1-pyridin-4-ylpentan-1-amine;hydrochloride
CID 171219804
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pentan-1-amine
CID 171228248
1-(4-methylsulfanylphenyl)pentan-1-amine;hydrochloride
CID 86262911
(1R)-1-(4-phenoxyphenyl)hexan-1-amine
CID 28979758
ethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride
CID 171248851
(1R)-1-pyridin-4-ylhexan-1-amine;hydrochloride
CID 171200270

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-trimethylsilyloxyphenyl)pentan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(4-trimethylsilyloxyphenyl)pentan-1-amine;hydrochloride (CID 171226877) is (1S)-1-(4-trimethylsilyloxyphenyl)pentan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(4-trimethylsilyloxyphenyl)pentan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(4-trimethylsilyloxyphenyl)pentan-1-amine;hydrochloride is CCCC[C@H](N)c1ccc(O[Si](C)(C)C)cc1.Cl.
What is the InChIKey of (1S)-1-(4-trimethylsilyloxyphenyl)pentan-1-amine;hydrochloride?
The InChIKey is KTXBCVGFAHTNAQ-UQKRIMTDSA-N. The full InChI is InChI=1S/C14H25NOSi.ClH/c1-5-6-7-14(15)12-8-10-13(11-9-12)16-17(2,3)4;/h8-11,14H,5-7,15H2,1-4H3;1H/t14-;/m0./s1.
What are the key properties of (1S)-1-(4-trimethylsilyloxyphenyl)pentan-1-amine;hydrochloride?
(1S)-1-(4-trimethylsilyloxyphenyl)pentan-1-amine;hydrochloride has a molecular weight of 287.91 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-trimethylsilyloxyphenyl)pentan-1-amine;hydrochloride is sourced from PubChem (CID 171226877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).