N'-(2-butoxyphenyl)-2-chloroethanimidamide

C12H17ClN2O — CID 169368773

IUPACN'-(2-butoxyphenyl)-2-chloroethanimidamide
SMILESCCCCOc1ccccc1/N=C(/N)CCl
InChIInChI=1S/C12H17ClN2O/c1-2-3-8-16-11-7-5-4-6-10(11)15-12(14)9-13/h4-7H,2-3,8-9H2,1H3,(H2,14,15)
InChIKeyHLTVZBDCNGBECM-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.09
Rot. Bonds6

About N'-(2-butoxyphenyl)-2-chloroethanimidamide

N'-(2-butoxyphenyl)-2-chloroethanimidamide (PubChem CID 169368773) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is N'-(2-butoxyphenyl)-2-chloroethanimidamide.

Molecular Properties

Compound NameN'-(2-butoxyphenyl)-2-chloroethanimidamide
PubChem CID169368773
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC NameN'-(2-butoxyphenyl)-2-chloroethanimidamide
SMILESCCCCOc1ccccc1/N=C(/N)CCl
InChIInChI=1S/C12H17ClN2O/c1-2-3-8-16-11-7-5-4-6-10(11)15-12(14)9-13/h4-7H,2-3,8-9H2,1H3,(H2,14,15)
InChIKeyHLTVZBDCNGBECM-UHFFFAOYSA-N
XLogP3.09
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-tetradecoxyphenyl)guanidine
CID 154378481
2-chloro-N'-[2-(trifluoromethoxy)phenyl]ethanimidamide
CID 169369851
2-chloro-N'-(3-chloro-2-propoxyphenyl)ethanimidamide
CID 169366352
2-chloro-N'-[2-(2-methoxyethylamino)phenyl]ethanimidamide
CID 169369850
5-[[2-[(1-amino-2-chloroethylidene)amino]phenoxy]methyl]furan-2-carboxylic acid
CID 169368226
2-chloro-N'-[2-(2,2-dimethylpropoxy)-5-fluorophenyl]ethanimidamide
CID 169367518
2-chloro-N'-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanimidamide
CID 169367084
N'-(2-phenoxyphenyl)butanimidamide
CID 55159002
1-butoxynaphthalene
CID 13262700
2-chloro-N'-[5-fluoro-2-(2-methylpropoxy)phenyl]ethanimidamide
CID 169367676
2-[(1-amino-2-chloroethylidene)amino]-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 169367330
2-chloro-N'-[4-(2-methylphenoxy)phenyl]ethanimidamide
CID 169369779

Frequently Asked Questions

What is the IUPAC name of N'-(2-butoxyphenyl)-2-chloroethanimidamide?
The IUPAC name of N'-(2-butoxyphenyl)-2-chloroethanimidamide (CID 169368773) is N'-(2-butoxyphenyl)-2-chloroethanimidamide.
What is the SMILES notation for N'-(2-butoxyphenyl)-2-chloroethanimidamide?
The canonical SMILES for N'-(2-butoxyphenyl)-2-chloroethanimidamide is CCCCOc1ccccc1/N=C(/N)CCl.
What is the InChIKey of N'-(2-butoxyphenyl)-2-chloroethanimidamide?
The InChIKey is HLTVZBDCNGBECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-2-3-8-16-11-7-5-4-6-10(11)15-12(14)9-13/h4-7H,2-3,8-9H2,1H3,(H2,14,15).
What are the key properties of N'-(2-butoxyphenyl)-2-chloroethanimidamide?
N'-(2-butoxyphenyl)-2-chloroethanimidamide has a molecular weight of 240.73 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-butoxyphenyl)-2-chloroethanimidamide is sourced from PubChem (CID 169368773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).