2-[(4-chlorophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine

C16H28ClNSi — CID 106323200

IUPAC2-[(4-chlorophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine
SMILESCC(C)NCC(Cc1ccc(Cl)cc1)C[Si](C)(C)C
InChIInChI=1S/C16H28ClNSi/c1-13(2)18-11-15(12-19(3,4)5)10-14-6-8-16(17)9-7-14/h6-9,13,15,18H,10-12H2,1-5H3
InChIKeyWKYUBKYWFKYQBO-UHFFFAOYSA-N
MW297.95 g/mol
LogP4.83
Rot. Bonds7

About 2-[(4-chlorophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine

2-[(4-chlorophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine (PubChem CID 106323200) has the molecular formula C16H28ClNSi and a molecular weight of 297.95 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine
PubChem CID106323200
Molecular FormulaC16H28ClNSi
Molecular Weight297.95 g/mol
Exact Mass297.17
IUPAC Name2-[(4-chlorophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine
SMILESCC(C)NCC(Cc1ccc(Cl)cc1)C[Si](C)(C)C
InChIInChI=1S/C16H28ClNSi/c1-13(2)18-11-15(12-19(3,4)5)10-14-6-8-16(17)9-7-14/h6-9,13,15,18H,10-12H2,1-5H3
InChIKeyWKYUBKYWFKYQBO-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.95
LogP ≤ 54.83
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

2-[(4-bromophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine
CID 106323210
2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529324
2-[(4-chlorophenyl)methyl]-3-(oxan-4-yl)-N-propan-2-ylpropan-1-amine
CID 62515572
2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine
CID 55135216
2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine
CID 63520826
2-[(4-chlorophenyl)methyl]-N-propan-2-ylnonan-1-amine
CID 63523502
2-[(4-chlorophenyl)methyl]-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine
CID 62515746
2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine
CID 104649208
2-[(4-chlorophenyl)methyl]-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617633
2-[(3-bromothiophen-2-yl)methyl]-3-(4-chlorophenyl)-N-propan-2-ylpropan-1-amine
CID 63523324
2-[(3-chloro-4-fluorophenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 103041008
2-benzyl-N-(2-methylpropyl)-3-trimethylsilylpropan-1-amine
CID 106323109

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine (CID 106323200) is 2-[(4-chlorophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine is CC(C)NCC(Cc1ccc(Cl)cc1)C[Si](C)(C)C.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine?
The InChIKey is WKYUBKYWFKYQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClNSi/c1-13(2)18-11-15(12-19(3,4)5)10-14-6-8-16(17)9-7-14/h6-9,13,15,18H,10-12H2,1-5H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine?
2-[(4-chlorophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine has a molecular weight of 297.95 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine is sourced from PubChem (CID 106323200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).