(1R)-1-(3-chlorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine

C18H24ClNSi — CID 103437957

IUPAC(1R)-1-(3-chlorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
SMILESC[C@@H](NCc1ccc([Si](C)(C)C)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H24ClNSi/c1-14(16-6-5-7-17(19)12-16)20-13-15-8-10-18(11-9-15)21(2,3)4/h5-12,14,20H,13H2,1-4H3/t14-/m1/s1
InChIKeyIBTTXJAFJIFYNM-CQSZACIVSA-N
MW317.94 g/mol
LogP4.74
Rot. Bonds5

About (1R)-1-(3-chlorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine

(1R)-1-(3-chlorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine (PubChem CID 103437957) has the molecular formula C18H24ClNSi and a molecular weight of 317.94 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
PubChem CID103437957
Molecular FormulaC18H24ClNSi
Molecular Weight317.94 g/mol
Exact Mass317.14
IUPAC Name(1R)-1-(3-chlorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
SMILESC[C@@H](NCc1ccc([Si](C)(C)C)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H24ClNSi/c1-14(16-6-5-7-17(19)12-16)20-13-15-8-10-18(11-9-15)21(2,3)4/h5-12,14,20H,13H2,1-4H3/t14-/m1/s1
InChIKeyIBTTXJAFJIFYNM-CQSZACIVSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.94
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
(1S)-N-[(4-bromophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 28649443
1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79978825
4-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]benzoic acid
CID 81366062
1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
CID 54940014
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106816979
(1R)-1-(3-chlorophenyl)-N-[(4-nitrophenyl)methyl]ethanamine
CID 28649765
(1R)-1-(3-chlorophenyl)-N-[[4-(difluoromethoxy)phenyl]methyl]ethanamine
CID 29031162
4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide
CID 43093327
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
1-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43181407
1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 43078961

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(3-chlorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine (CID 103437957) is (1R)-1-(3-chlorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine is C[C@@H](NCc1ccc([Si](C)(C)C)cc1)c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine?
The InChIKey is IBTTXJAFJIFYNM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24ClNSi/c1-14(16-6-5-7-17(19)12-16)20-13-15-8-10-18(11-9-15)21(2,3)4/h5-12,14,20H,13H2,1-4H3/t14-/m1/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine?
(1R)-1-(3-chlorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine has a molecular weight of 317.94 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine is sourced from PubChem (CID 103437957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).