1-(4-methoxyphenyl)-N-tri(propan-2-yl)silyloxymethanamine

C17H31NO2Si — CID 132599430

IUPAC1-(4-methoxyphenyl)-N-tri(propan-2-yl)silyloxymethanamine
SMILESCOc1ccc(CNO[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C17H31NO2Si/c1-13(2)21(14(3)4,15(5)6)20-18-12-16-8-10-17(19-7)11-9-16/h8-11,13-15,18H,12H2,1-7H3
InChIKeySQPWHURPKBGKQA-UHFFFAOYSA-N
MW309.53 g/mol
LogP4.89
Rot. Bonds8

About 1-(4-methoxyphenyl)-N-tri(propan-2-yl)silyloxymethanamine

1-(4-methoxyphenyl)-N-tri(propan-2-yl)silyloxymethanamine (PubChem CID 132599430) has the molecular formula C17H31NO2Si and a molecular weight of 309.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-tri(propan-2-yl)silyloxymethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-tri(propan-2-yl)silyloxymethanamine
PubChem CID132599430
Molecular FormulaC17H31NO2Si
Molecular Weight309.53 g/mol
Exact Mass309.21
IUPAC Name1-(4-methoxyphenyl)-N-tri(propan-2-yl)silyloxymethanamine
SMILESCOc1ccc(CNO[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C17H31NO2Si/c1-13(2)21(14(3)4,15(5)6)20-18-12-16-8-10-17(19-7)11-9-16/h8-11,13-15,18H,12H2,1-7H3
InChIKeySQPWHURPKBGKQA-UHFFFAOYSA-N
XLogP4.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.53
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 796206
ethane;formaldehyde;1-(4-methoxyphenyl)-N-methylmethanamine
CID 142914034
N-[(4-methoxyphenyl)methyl]-2-methylbutan-1-amine
CID 43201033
ethane;N-iodo-1-(4-methoxyphenyl)methanamine
CID 142382613
N-[(4-methoxyphenyl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 115252801
(2S)-2-[(4-methoxyphenyl)methylamino]propanal
CID 151027433
N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide
CID 108940806
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
N-(bromomethyl)-1-(4-methoxyphenyl)methanamine
CID 115261836
N-[[4-[(4-methoxyphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 62459407
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-tri(propan-2-yl)silyloxymethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-tri(propan-2-yl)silyloxymethanamine (CID 132599430) is 1-(4-methoxyphenyl)-N-tri(propan-2-yl)silyloxymethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-tri(propan-2-yl)silyloxymethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-tri(propan-2-yl)silyloxymethanamine is COc1ccc(CNO[Si](C(C)C)(C(C)C)C(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-tri(propan-2-yl)silyloxymethanamine?
The InChIKey is SQPWHURPKBGKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2Si/c1-13(2)21(14(3)4,15(5)6)20-18-12-16-8-10-17(19-7)11-9-16/h8-11,13-15,18H,12H2,1-7H3.
What are the key properties of 1-(4-methoxyphenyl)-N-tri(propan-2-yl)silyloxymethanamine?
1-(4-methoxyphenyl)-N-tri(propan-2-yl)silyloxymethanamine has a molecular weight of 309.53 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-tri(propan-2-yl)silyloxymethanamine is sourced from PubChem (CID 132599430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).