2-[N-[2-(benzylamino)ethyl]-C-methylcarbonimidoyl]phenol

C17H20N2O — CID 136688295

IUPAC2-[N-[2-(benzylamino)ethyl]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\CCNCc1ccccc1)c1ccccc1O
InChIInChI=1S/C17H20N2O/c1-14(16-9-5-6-10-17(16)20)19-12-11-18-13-15-7-3-2-4-8-15/h2-10,18,20H,11-13H2,1H3/b19-14+
InChIKeyFXHONGAYWOBEOA-XMHGGMMESA-N
MW268.36 g/mol
LogP2.99
Rot. Bonds6

About 2-[N-[2-(benzylamino)ethyl]-C-methylcarbonimidoyl]phenol

2-[N-[2-(benzylamino)ethyl]-C-methylcarbonimidoyl]phenol (PubChem CID 136688295) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[N-[2-(benzylamino)ethyl]-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-[N-[2-(benzylamino)ethyl]-C-methylcarbonimidoyl]phenol
PubChem CID136688295
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-[N-[2-(benzylamino)ethyl]-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\CCNCc1ccccc1)c1ccccc1O
InChIInChI=1S/C17H20N2O/c1-14(16-9-5-6-10-17(16)20)19-12-11-18-13-15-7-3-2-4-8-15/h2-10,18,20H,11-13H2,1H3/b19-14+
InChIKeyFXHONGAYWOBEOA-XMHGGMMESA-N
XLogP2.99
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[C-methyl-N-(2-phenylselanylethyl)carbonimidoyl]phenol
CID 135844947
2-(N-decyl-C-methylcarbonimidoyl)phenol
CID 4600028
N-[2-(benzylamino)ethyl]-2,2-difluoroethanimidoyl chloride
CID 72942295
2-[(Z)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 136755547
2-[(E)-N-[(Z)-[benzylsulfanyl-[[(Z)-C-benzylsulfanyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]carbonimidoyl]disulfanyl]methylidene]amino]-C-methylcarbonimidoyl]phenol
CID 139087967
N-[2-[[4-(2-phenylethyl)phenyl]methylamino]ethyl]acetamide
CID 11437928
2-[C-methyl-N-[(2,3,4,5,6-pentamethylphenyl)methyl]carbonimidoyl]phenol
CID 2731245
N-benzylethanamine;tris(yttrium)
CID 158198357
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 135410018
N-benzylpropan-1-amine;ethane;propane
CID 145164103
2-[(benzylamino)methyl]phenol chloride
CID 53350489
4-(benzylamino)-2-methylbutan-2-ol
CID 21242176

Frequently Asked Questions

What is the IUPAC name of 2-[N-[2-(benzylamino)ethyl]-C-methylcarbonimidoyl]phenol?
The IUPAC name of 2-[N-[2-(benzylamino)ethyl]-C-methylcarbonimidoyl]phenol (CID 136688295) is 2-[N-[2-(benzylamino)ethyl]-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 2-[N-[2-(benzylamino)ethyl]-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 2-[N-[2-(benzylamino)ethyl]-C-methylcarbonimidoyl]phenol is C/C(=N\CCNCc1ccccc1)c1ccccc1O.
What is the InChIKey of 2-[N-[2-(benzylamino)ethyl]-C-methylcarbonimidoyl]phenol?
The InChIKey is FXHONGAYWOBEOA-XMHGGMMESA-N. The full InChI is InChI=1S/C17H20N2O/c1-14(16-9-5-6-10-17(16)20)19-12-11-18-13-15-7-3-2-4-8-15/h2-10,18,20H,11-13H2,1H3/b19-14+.
What are the key properties of 2-[N-[2-(benzylamino)ethyl]-C-methylcarbonimidoyl]phenol?
2-[N-[2-(benzylamino)ethyl]-C-methylcarbonimidoyl]phenol has a molecular weight of 268.36 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[2-(benzylamino)ethyl]-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 136688295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).