4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide

C16H18ClN3 — CID 65486843

IUPAC4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(C)CCc1ccccc1
InChIInChI=1S/C16H18ClN3/c1-20(10-9-12-5-3-2-4-6-12)15-11-13(17)7-8-14(15)16(18)19/h2-8,11H,9-10H2,1H3,(H3,18,19)
InChIKeySWJPQRDWQYEFIC-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.30
Rot. Bonds5

About 4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide

4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide (PubChem CID 65486843) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
PubChem CID65486843
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N(C)CCc1ccccc1
InChIInChI=1S/C16H18ClN3/c1-20(10-9-12-5-3-2-4-6-12)15-11-13(17)7-8-14(15)16(18)19/h2-8,11H,9-10H2,1H3,(H3,18,19)
InChIKeySWJPQRDWQYEFIC-UHFFFAOYSA-N
XLogP3.30
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 63093863
4-chloro-2-[5-hydroxypentyl(methyl)amino]benzenecarboximidamide
CID 107200134
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 62493585
2-methyl-4-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 81278369
2-bromo-3-fluoro-4-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 107536523
4-chloro-2-[methyl(pyridin-2-ylmethyl)amino]benzenecarboximidamide
CID 55179840
4-chloro-2-[(2-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 63094373
5-chloro-2-[methyl(propyl)amino]benzenecarboximidamide
CID 62493754
4-methoxy-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarboximidamide
CID 81299445
2-(aminomethyl)-4-chloro-N-methyl-N-(2-phenylethyl)aniline
CID 65485061
5-chloro-2-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 55227730
3-[methyl(2-phenylethyl)amino]benzenecarboximidamide
CID 62971177

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide?
The IUPAC name of 4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide (CID 65486843) is 4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1N(C)CCc1ccccc1.
What is the InChIKey of 4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide?
The InChIKey is SWJPQRDWQYEFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-20(10-9-12-5-3-2-4-6-12)15-11-13(17)7-8-14(15)16(18)19/h2-8,11H,9-10H2,1H3,(H3,18,19).
What are the key properties of 4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide?
4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide has a molecular weight of 287.79 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[methyl(2-phenylethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 65486843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).