N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide

C10H15BrN2 — CID 25231669

IUPACN'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide
SMILESBr.C/C(N)=N\[C@@H](C)c1ccccc1
InChIInChI=1S/C10H14N2.BrH/c1-8(12-9(2)11)10-6-4-3-5-7-10;/h3-8H,1-2H3,(H2,11,12);1H/t8-;/m0./s1
InChIKeySXSWEEJYFGUAON-QRPNPIFTSA-N
MW243.15 g/mol
LogP2.70
Rot. Bonds2

About N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide

N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide (PubChem CID 25231669) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide.

Molecular Properties

Compound NameN'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide
PubChem CID25231669
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC NameN'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide
SMILESBr.C/C(N)=N\[C@@H](C)c1ccccc1
InChIInChI=1S/C10H14N2.BrH/c1-8(12-9(2)11)10-6-4-3-5-7-10;/h3-8H,1-2H3,(H2,11,12);1H/t8-;/m0./s1
InChIKeySXSWEEJYFGUAON-QRPNPIFTSA-N
XLogP2.70
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(diaminomethylidene)-2-[(1S)-1-phenylethyl]guanidine
CID 54410144
cumene;N'-methylethanimidamide
CID 142863724
4-(1-phenylethylimino)pentan-2-one
CID 56976163
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]ethanimine
CID 58667257
N-(1-phenylethyl)benzenecarboximidoyl chloride
CID 14043800
1,2,3-tris[(1S)-1-phenylethyl]guanidine
CID 101384426
2,2,2-trifluoro-N-[(1R)-1-phenylethyl]ethanimidoyl chloride
CID 10966483
2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
CID 11323391
1-(4,6-dimethylpyrimidin-2-yl)-2-[(1S)-1-phenylethyl]guanidine
CID 6850937
N-[1-(4-methylphenyl)ethyl]-1-phenylethanimine
CID 22603744
(4-propan-2-ylphenyl)methyl N'-[(1S)-1-phenylethyl]carbamimidothioate
CID 8775714
N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11779029

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide?
The IUPAC name of N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide (CID 25231669) is N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide.
What is the SMILES notation for N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide?
The canonical SMILES for N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide is Br.C/C(N)=N\[C@@H](C)c1ccccc1.
What is the InChIKey of N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide?
The InChIKey is SXSWEEJYFGUAON-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H14N2.BrH/c1-8(12-9(2)11)10-6-4-3-5-7-10;/h3-8H,1-2H3,(H2,11,12);1H/t8-;/m0./s1.
What are the key properties of N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide?
N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide has a molecular weight of 243.15 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide is sourced from PubChem (CID 25231669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).